methyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H24N2O3S3 MolecularWeight: 412.58976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C18H24N2O3S3/c1-23-17(22)15-12-7-3-2-4-8-13(12)26-16(15)19-14(21)11-25-18(24)20-9-5-6-10-20/h2-11H2,1H3,(H,19,21)