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

Systemtic Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-ethoxy-2-nitro-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxy-2-nitrophenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-ethoxy-2-nitro-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-5-12-10(3)28-16(15(12)17(22)25-4)20-18(27)19-13-8-7-11(26-6-2)9-14(13)21(23)24/h7-9H,5-6H2,1-4H3,(H2,19,20,27)