S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[2-oxidanylidene-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-oxo-1-[(4-phenoxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[2-oxo-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-keto-1-(4-phenoxybenzyl)pyrrolidin-3-yl] ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1SC(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)C1SC(=O)C2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H21NO3S/c26-23-22(29-24(27)19-7-3-1-4-8-19)15-16-25(23)17-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h1-14,22H,15-17H2