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

Systemtic Name: ethyl 2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-methyl-3-nitro-phenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-methyl-3-nitrophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-methyl-3-nitro-phenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S2/c1-3-28-20(25)15-12-18(14-8-5-4-6-9-14)30-19(15)23-21(29)22-16-10-7-11-17(13(16)2)24(26)27/h4-12H,3H2,1-2H3,(H2,22,23,29)