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

Systemtic Name: ethyl 2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H19NO4S2 MolecularWeight: 413.50986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO4S2/c1-2-26-20(24)17-14-9-5-6-10-15(14)27-19(17)22-18(23)16-11-12-7-3-4-8-13(12)21(25)28-16/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,22,23)