S-isoquinolin-1-yl 4-methoxybenzenecarbothioate

Systemtic Name: S-isoquinolin-1-yl 4-methoxybenzenecarbothioate Openeye Name: S-(1-isoquinolyl) 4-methoxybenzenecarbothioate CAS Name: 4-methoxybenzenecarbothioic acid S-(1-isoquinolinyl) ester IUPAC Name: S-isoquinolin-1-yl 4-methoxybenzenecarbothioate Traditional Name: 4-methoxythiobenzoic acid S-(1-isoquinolyl) ester Formula: C17H13NO2S MolecularWeight: 295.35562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)SC2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)SC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C17H13NO2S/c1-20-14-8-6-13(7-9-14)17(19)21-16-15-5-3-2-4-12(15)10-11-18-16/h2-11H,1H3