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

Systemtic Name: ethyl 6-ethyl-2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(1-oxoisochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-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 6-ethyl-2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(1-ketoisochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H25NO5S/c1-3-13-9-10-16-18(11-13)30-21(19(16)23(27)28-4-2)24-20(25)17-12-14-7-5-6-8-15(14)22(26)29-17/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,24,25)