methyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-oxoisothiochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H17NO4S2 MolecularWeight: 399.48328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)S3

InChI

InChI=1S/C20H17NO4S2/c1-25-19(23)16-13-8-4-5-9-14(13)26-18(16)21-17(22)15-10-11-6-2-3-7-12(11)20(24)27-15/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)