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

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN2O3S2 MolecularWeight: 384.90078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C

InChI

InChI=1S/C16H17ClN2O3S2/c1-8-9(2)24-14(13(8)15(20)22-4)19-16(23)18-10-5-6-12(21-3)11(17)7-10/h5-7H,1-4H3,(H2,18,19,23)