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

Systemtic Name: ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-methoxy-3-nitro-benzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxy-3-nitrobenzoyl)amino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-methoxy-3-nitro-benzoyl)amino]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6S/c1-4-28-20(24)17-13-9-11(2)5-8-16(13)29-19(17)21-18(23)12-6-7-15(27-3)14(10-12)22(25)26/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)