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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=C(C=C(C=C2)OCC)[N+](=O)[O-])C(=O)OC

InChI

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