ethyl 5-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(2-nitrophenyl)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-(2-nitrophenyl)phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(2-nitrophenyl)phenyl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H23N3O4S2 MolecularWeight: 517.61922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C27H23N3O4S2/c1-3-34-26(31)24-23(19-9-5-4-6-10-19)17(2)36-25(24)29-27(35)28-20-15-13-18(14-16-20)21-11-7-8-12-22(21)30(32)33/h4-16H,3H2,1-2H3,(H2,28,29,35)