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

Systemtic Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S2/c1-4-30-15-10-11-16(17(12-15)25(27)28)23-22(31)24-20-19(21(26)29-3)18(13(2)32-20)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H2,23,24,31)