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

Systemtic Name: dimethyl 5-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H21N3O6S3 MolecularWeight: 471.57084

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H21N3O6S3/c1-5-19-30(24,25)12-8-6-11(7-9-12)20-18(28)21-15-13(16(22)26-3)10(2)14(29-15)17(23)27-4/h6-9,19H,5H2,1-4H3,(H2,20,21,28)