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

Systemtic Name: ethyl 2-[(3-methyl-1-oxidanylidene-4H-isochromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-methyl-1-oxo-isochromane-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 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 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-keto-3-methyl-isochroman-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C22H23NO5S/c1-3-27-20(25)17-15-10-6-7-11-16(15)29-18(17)23-21(26)22(2)12-13-8-4-5-9-14(13)19(24)28-22/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H,23,26)