S-[2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] ethanethioate

Systemtic Name: S-[2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-oxidanylidene-ethyl] ethanethioate Openeye Name: S-[2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidin-1-yl]-2-oxo-ethyl] ethanethioate CAS Name: ethanethioic acid S-[2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-1-pyrrolidinyl]-2-oxoethyl] ester IUPAC Name: S-[2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methylpyrrolidin-1-yl]-2-oxoethyl] ethanethioate Traditional Name: ethanethioic acid S-[2-keto-2-[3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidino]ethyl] ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)CSC(=O)C

Isomeric SMILES

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)CSC(=O)C

InChI

InChI=1S/C25H27NO4S/c1-18-15-26(25(28)17-31-19(2)27)16-22(18)21-11-12-23(29-3)24(14-21)30-13-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-12,14,18,22H,13,15-17H2,1-3H3