methyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H22N2O3S3 MolecularWeight: 398.56318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C17H22N2O3S3/c1-22-16(21)14-11-6-2-3-7-12(11)25-15(14)18-13(20)10-24-17(23)19-8-4-5-9-19/h2-10H2,1H3,(H,18,20)