methyl 4,5-dimethyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(2-nitroanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(2-nitrophenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(2-nitrophenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C15H15N3O4S2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O4S2/c1-8-9(2)24-13(12(8)14(19)22-3)17-15(23)16-10-6-4-5-7-11(10)18(20)21/h4-7H,1-3H3,(H2,16,17,23)