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

Systemtic Name: ethyl (6S)-6-methyl-2-[(4-oxidanylidenechromen-2-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-methyl-2-[(4-oxochromene-2-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-methyl-2-[(4-oxochromene-2-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[(4-ketochromene-2-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C22H21NO5S/c1-3-27-22(26)19-14-9-8-12(2)10-18(14)29-21(19)23-20(25)17-11-15(24)13-6-4-5-7-16(13)28-17/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,25)/t12-/m0/s1