dimethyl 5-(2-thiophen-2-ylethylcarbamothioylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-thiophen-2-ylethylcarbamothioylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2-thienyl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[sulfanylidene-(2-thiophen-2-ylethylamino)methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-thiophen-2-ylethylcarbamothioylamino)benzene-1,3-dicarboxylate Traditional Name: 5-[2-(2-thienyl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H18N2O4S2 MolecularWeight: 378.46582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=CS2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CC=CS2)C(=O)OC

InChI

InChI=1S/C17H18N2O4S2/c1-22-15(20)11-8-12(16(21)23-2)10-13(9-11)19-17(24)18-6-5-14-4-3-7-25-14/h3-4,7-10H,5-6H2,1-2H3,(H2,18,19,24)