methyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C13H10ClN3O4S2 MolecularWeight: 371.8192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN3O4S2/c1-21-12(18)8-4-5-23-11(8)16-13(22)15-10-6-7(17(19)20)2-3-9(10)14/h2-6H,1H3,(H2,15,16,22)