2-(4-chlorophenyl)-2-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]ethanethioic S-acid

Systemtic Name: 2-(4-chlorophenyl)-2-[5-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]ethanethioic S-acid Openeye Name: 2-(4-chlorophenyl)-2-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]ethanethioic S-acid CAS Name: 2-(4-chlorophenyl)-2-[5-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl]ethanethioic S-acid IUPAC Name: 2-(4-chlorophenyl)-2-[5-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]ethanethioic S-acid Traditional Name: 2-(4-chlorophenyl)-2-[5-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl]thioacetic acid Formula: C25H22ClNO3S MolecularWeight: 451.96508

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(C4=CC=C(C=C4)Cl)C(=O)S

Isomeric SMILES

C1C(CN(C1=O)CC2=CC=C(C=C2)OC3=CC=CC=C3)C(C4=CC=C(C=C4)Cl)C(=O)S

InChI

InChI=1S/C25H22ClNO3S/c26-20-10-8-18(9-11-20)24(25(29)31)19-14-23(28)27(16-19)15-17-6-12-22(13-7-17)30-21-4-2-1-3-5-21/h1-13,19,24H,14-16H2,(H,29,31)