ethyl 4-(2-chlorophenyl)-2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-(diethylthiocarbamoylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23ClN2O3S3 MolecularWeight: 471.05622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C(=CS1)C2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C20H23ClN2O3S3/c1-4-23(5-2)20(27)29-12-16(24)22-18-17(19(25)26-6-3)14(11-28-18)13-9-7-8-10-15(13)21/h7-11H,4-6,12H2,1-3H3,(H,22,24)