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

Systemtic Name: ethyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-oxoisochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-ketoisochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H21NO5S/c1-2-26-21(25)17-14-9-5-6-10-16(14)28-19(17)22-18(23)15-11-12-7-3-4-8-13(12)20(24)27-15/h3-4,7-8,15H,2,5-6,9-11H2,1H3,(H,22,23)