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

Systemtic Name: methyl 3-[(3-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(3-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(3-nitrophenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4S2/c1-20-12(17)11-10(5-6-22-11)15-13(21)14-8-3-2-4-9(7-8)16(18)19/h2-7H,1H3,(H2,14,15,21)