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

Systemtic Name: methyl 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC(=C(C=C2OC)Cl)OC)C(=O)OC

InChI

InChI=1S/C16H17ClN2O4S2/c1-8-5-9(15(20)23-4)14(25-8)19-16(24)18-11-7-12(21-2)10(17)6-13(11)22-3/h5-7H,1-4H3,(H2,18,19,24)