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

Systemtic Name: ethyl 6-ethyl-2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-ethyl-2-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-ethyl-2-[[(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-ethyl-2-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C24H27NO5S/c1-4-14-10-11-17-18(12-14)31-20(19(17)22(27)29-5-2)25-23(28)24(3)13-15-8-6-7-9-16(15)21(26)30-24/h6-9,14H,4-5,10-13H2,1-3H3,(H,25,28)