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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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