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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[(4-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O4S2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S2/c1-4-12-9(2)25-14(13(12)15(20)23-3)18-16(24)17-10-5-7-11(8-6-10)19(21)22/h5-8H,4H2,1-3H3,(H2,17,18,24)