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

Systemtic Name: ethyl 5-methyl-2-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[(4-methyl-3-nitrophenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4S2/c1-4-29-21(26)19-18(15-8-6-5-7-9-15)14(3)31-20(19)24-22(30)23-16-11-10-13(2)17(12-16)25(27)28/h5-12H,4H2,1-3H3,(H2,23,24,30)