CAS: 808115-46-0

Name: 4-hydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl ester

IUPAC: butyl 4-hydroxy-7-phenylsulfanylisoquinoline-3-carboxylate

SMILES: CCCCOC(=O)c1ncc2cc(Sc3ccccc3)ccc2c1O

Canonical SMILES: CCCCOC(=O)C1=NC=C2C=C(C=CC2=C1O)SC3=CC=CC=C3

Summenformel: C20H19NO3S

Molare Masse: 353.40

InChIKey: YJZURCKRNBYZBE-UHFFFAOYSA-N

InChI:

InChI=1S/C20H19NO3S/c1-2-3-11-24-20(23)18-19(22)17-10-9-16(12-14(17)13-21-18)25-15-7-5-4-6-8-15/h4-10,12-13,22H,2-3,11H2,1H3

Synonyme

SCHEMBL523361YJZURCKRNBYZBE-UHFFFAOYSA-NDB-0958424-Hydroxy-7-phenylsulfanyl-isoquinoline-3-carboxylic acid butyl ester808115-46-0

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