S-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-[2-(4-methoxyphenyl)-2-oxoethyl]-3-pyrrolidinyl] ester IUPAC Name: S-[1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-[2-keto-2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl] ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN2CCC(C2)SC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN2CCC(C2)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-24-17-9-7-15(8-10-17)19(22)14-21-12-11-18(13-21)25-20(23)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3