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

Systemtic Name: ethyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S2/c1-4-30-16-11-12-17(18(13-16)26(28)29)24-23(32)25-21-20(22(27)31-5-2)19(14(3)33-21)15-9-7-6-8-10-15/h6-13H,4-5H2,1-3H3,(H2,24,25,32)