2-(4-chlorophenyl)sulfanylethyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C18H14ClNO3S MolecularWeight: 359.82666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H14ClNO3S/c19-13-5-7-14(8-6-13)24-10-9-23-18(22)16-11-12-3-1-2-4-15(12)17(21)20-16/h1-8,11H,9-10H2,(H,20,21)