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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[(4-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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