[2-[4-(2-cyanopropan-2-yl)-1-(phenylsulfonyl)pyrrolidin-3-yl]-1-ethoxycarbothioylsulfanyl-ethyl] benzoate

Systemtic Name: [2-[4-(2-cyanopropan-2-yl)-1-(phenylsulfonyl)pyrrolidin-3-yl]-1-ethoxycarbothioylsulfanyl-ethyl] benzoate Openeye Name: [2-[1-(benzenesulfonyl)-4-(1-cyano-1-methyl-ethyl)pyrrolidin-3-yl]-1-ethoxycarbothioylsulfanyl-ethyl] benzoate CAS Name: benzoic acid [2-[1-(benzenesulfonyl)-4-(2-cyanopropan-2-yl)-3-pyrrolidinyl]-1-[[ethoxy(sulfanylidene)methyl]thio]ethyl] ester IUPAC Name: [2-[1-(benzenesulfonyl)-4-(2-cyanopropan-2-yl)pyrrolidin-3-yl]-1-ethoxycarbothioylsulfanylethyl] benzoate Traditional Name: benzoic acid [2-[1-besyl-4-(1-cyano-1-methyl-ethyl)pyrrolidin-3-yl]-1-(ethoxycarbothioylthio)ethyl] ester Formula: C26H30N2O5S3 MolecularWeight: 546.7218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CC1CN(CC1C(C)(C)C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=S)SC(CC1CN(CC1C(C)(C)C#N)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H30N2O5S3/c1-4-32-25(34)35-23(33-24(29)19-11-7-5-8-12-19)15-20-16-28(17-22(20)26(2,3)18-27)36(30,31)21-13-9-6-10-14-21/h5-14,20,22-23H,4,15-17H2,1-3H3