methyl (2S)-3-(1H-indol-3-yl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]propionic acid methyl ester Formula: C19H23N3O3S2 MolecularWeight: 405.53422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CSC(=S)N3CCCC3

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CSC(=S)N3CCCC3

InChI

InChI=1S/C19H23N3O3S2/c1-25-18(24)16(10-13-11-20-15-7-3-2-6-14(13)15)21-17(23)12-27-19(26)22-8-4-5-9-22/h2-3,6-7,11,16,20H,4-5,8-10,12H2,1H3,(H,21,23)/t16-/m0/s1