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

Systemtic Name: dimethyl 5-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O5S2/c1-8-12(15(21)24-3)14(27-13(8)16(22)25-4)20-17(26)19-9-5-6-11(23-2)10(18)7-9/h5-7H,1-4H3,(H2,19,20,26)