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

Systemtic Name: ethyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O5S2/c1-3-30-16-10-11-19(20(13-16)26(28)29)24-23(32)25-21-18(22(27)31-4-2)14-17(33-21)12-15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H2,24,25,32)