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

Systemtic Name: methyl 2-[(4-nitrophenyl)carbonylamino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(4-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-nitrophenyl)-oxomethyl]amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-nitrobenzoyl)amino]-6-phenyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-30-23(27)20-18-12-9-16(14-5-3-2-4-6-14)13-19(18)31-22(20)24-21(26)15-7-10-17(11-8-15)25(28)29/h2-8,10-11,16H,9,12-13H2,1H3,(H,24,26)