methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-4-nitrophenyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C14H13N3O5S2/c1-21-11-7-8(17(19)20)3-4-9(11)15-14(23)16-10-5-6-24-12(10)13(18)22-2/h3-7H,1-2H3,(H2,15,16,23)