methyl (2S)-3-phenyl-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-phenyl-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]propionic acid methyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C17H22N2O3S2/c1-22-16(21)14(11-13-7-3-2-4-8-13)18-15(20)12-24-17(23)19-9-5-6-10-19/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,18,20)/t14-/m0/s1