名称: (-)-S-[(5-cyano-3-carboethoxy-4-(3-nitrophenyl)-6-methyl-1,4-dihydropyridin-2-yl)methyl]isothiourea

IUPAC: ethyl 2-(carbamimidoylsulfanylmethyl)-5-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

SMILES: CCOC(=O)C1=C(CSC(=N)N)NC(C)=C(C#N)C1c1cccc([N+](=O)[O-])c1

Canonical SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C)CSC(=N)N

分子式: C18H19N5O4S

分子量: 401.40

InChIKey: BVWJZBYROHTYGD-UHFFFAOYSA-N

InChI:

InChI=1S/C18H19N5O4S/c1-3-27-17(24)16-14(9-28-18(20)21)22-10(2)13(8-19)15(16)11-5-4-6-12(7-11)23(25)26/h4-7,15,22H,3,9H2,1-2H3,(H3,20,21)

同義語

SCHEMBL9502301BVWJZBYROHTYGD-UHFFFAOYSA-N(-)-S-[(5-cyano-3-carboethoxy-4-(3-nitrophenyl)-6-methyl-1,4-dihydropyridin-2-yl)methyl]isothiourea

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