ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(diethylthiocarbamoylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H26N2O3S3 MolecularWeight: 414.60564

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C18H26N2O3S3/c1-4-20(5-2)18(24)25-11-14(21)19-16-15(17(22)23-6-3)12-9-7-8-10-13(12)26-16/h4-11H2,1-3H3,(H,19,21)