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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-methyl-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-methyl-2-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-methyl-2-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-methyl-2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-methyl-2-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)C)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=C(C=C(C=C2)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H19N3O4S2/c1-5-11-10(3)26-15(14(11)16(21)24-4)19-17(25)18-12-7-6-9(2)8-13(12)20(22)23/h6-8H,5H2,1-4H3,(H2,18,19,25)