methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-3-nitrobenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O5S/c1-3-12-4-6-13(7-5-12)15-11-30-20(18(15)21(26)29-2)23-19(25)14-8-9-16(22)17(10-14)24(27)28/h4-11H,3H2,1-2H3,(H,23,25)