methyl 5-methyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(2-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C14H13N3O4S2/c1-8-7-9(13(18)21-2)12(23-8)16-14(22)15-10-5-3-4-6-11(10)17(19)20/h3-7H,1-2H3,(H2,15,16,22)