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

Systemtic Name: methyl 2-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC(=C(C=C2)OC)Cl)C

InChI

InChI=1S/C17H19ClN2O3S2/c1-5-11-9(2)25-15(14(11)16(21)23-4)20-17(24)19-10-6-7-13(22-3)12(18)8-10/h6-8H,5H2,1-4H3,(H2,19,20,24)