methyl 4-(4-ethylphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-ethylphenyl)-2-[(3-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-ethylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-ethylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-2-[(3-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5S/c1-3-13-7-9-14(10-8-13)17-12-29-20(18(17)21(25)28-2)22-19(24)15-5-4-6-16(11-15)23(26)27/h4-12H,3H2,1-2H3,(H,22,24)