ethyl 3-[2-(2-chloranyl-5-nitro-phenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(2-chloranyl-5-nitro-phenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(2-chloro-5-nitro-phenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-(2-chloro-5-nitrophenyl)-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-chloro-5-nitrophenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(2-chloro-5-nitro-phenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN2O5S/c1-2-29-21(26)20-17(12-18(30-20)13-6-4-3-5-7-13)23-19(25)11-14-10-15(24(27)28)8-9-16(14)22/h3-10,12H,2,11H2,1H3,(H,23,25)