[2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[ethanoyl(phenyl)amino]-1,3-thiazol-4-yl]methyl 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-(N-acetylanilino)thiazol-4-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-(N-acetylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-(N-acetylanilino)thiazol-4-yl]methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H17N3O4S/c1-14(26)25(17-8-3-2-4-9-17)22-23-16(13-30-22)12-29-21(28)19-11-15-7-5-6-10-18(15)20(27)24-19/h2-11,13H,12H2,1H3,(H,24,27)