ethyl 4-cyclopropyl-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[(1-oxoisochromane-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[(1-ketoisochroman-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C20H19NO5S/c1-2-25-20(24)16-14(11-7-8-11)10-27-18(16)21-17(22)15-9-12-5-3-4-6-13(12)19(23)26-15/h3-6,10-11,15H,2,7-9H2,1H3,(H,21,22)