ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-methoxy-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-methoxy-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-methoxy-3-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6S/c1-3-30-22(26)17-13-16(11-14-7-5-4-6-8-14)31-21(17)23-20(25)15-9-10-19(29-2)18(12-15)24(27)28/h4-10,12-13H,3,11H2,1-2H3,(H,23,25)