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

Systemtic Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-3-29-14-9-10-16(17(11-14)24(26)27)22-21(30)23-19-15(20(25)28-2)12-18(31-19)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H2,22,23,30)