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

Systemtic Name: ethyl (6S)-6-methyl-2-[(2-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-methyl-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2)C)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H22N2O5S/c1-4-27-20(24)17-14-9-8-11(2)10-16(14)28-19(17)21-18(23)13-6-5-7-15(12(13)3)22(25)26/h5-7,11H,4,8-10H2,1-3H3,(H,21,23)/t11-/m0/s1