ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-chloranyl-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-5-nitro-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-nitrophenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-nitro-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C16H16ClN3O4S2 MolecularWeight: 413.89894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClN3O4S2/c1-4-24-15(21)13-8(2)9(3)26-14(13)19-16(25)18-12-7-10(20(22)23)5-6-11(12)17/h5-7H,4H2,1-3H3,(H2,18,19,25)