methyl (2S)-1-(2-benzamido-2-ethoxycarbothioylsulfanyl-ethanoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-(2-benzamido-2-ethoxycarbothioylsulfanyl-ethanoyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(2-benzamido-2-ethoxycarbothioylsulfanyl-acetyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-benzamido-2-[[ethoxy(sulfanylidene)methyl]thio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(2-benzamido-2-ethoxycarbothioylsulfanylacetyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-benzamido-2-(ethoxycarbothioylthio)acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(C(=O)N1CCCC1C(=O)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=S)SC(C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H22N2O5S2/c1-3-25-18(26)27-15(19-14(21)12-8-5-4-6-9-12)16(22)20-11-7-10-13(20)17(23)24-2/h4-6,8-9,13,15H,3,7,10-11H2,1-2H3,(H,19,21)/t13-,15?/m0/s1