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

Systemtic Name: methyl 4-ethyl-2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5S2/c1-5-11-9(2)27-15(14(11)16(21)25-4)19-17(26)18-12-8-10(20(22)23)6-7-13(12)24-3/h6-8H,5H2,1-4H3,(H2,18,19,26)