methyl 1-oxidanylidene-2-(thiophen-2-ylcarbonylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(thiophen-2-ylcarbonylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-oxo-2-(thiophene-2-carbonylamino)isoquinoline-4-carboxylate CAS Name: 1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-(thiophene-2-carbonylamino)isoquinoline-4-carboxylate Traditional Name: 1-keto-2-(2-thenoylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C16H12N2O4S MolecularWeight: 328.34248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H12N2O4S/c1-22-16(21)12-9-18(17-14(19)13-7-4-8-23-13)15(20)11-6-3-2-5-10(11)12/h2-9H,1H3,(H,17,19)