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

Systemtic Name: ethyl 2-[[(3R)-7-methyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(3R)-7-methyl-1-oxo-isochromane-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3R)-7-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-[[(3R)-7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(3R)-1-keto-7-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)C3CC4=C(C=C(C=C4)C)C(=O)O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)[C@H]3CC4=C(C=C(C=C4)C)C(=O)O3

InChI

InChI=1S/C22H23NO5S/c1-3-27-22(26)18-14-6-4-5-7-17(14)29-20(18)23-19(24)16-11-13-9-8-12(2)10-15(13)21(25)28-16/h8-10,16H,3-7,11H2,1-2H3,(H,23,24)/t16-/m1/s1