S-[5-oxidanylidene-1-[(4-thiophen-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[5-oxidanylidene-1-[(4-thiophen-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Openeye Name: S-[5-oxo-1-[[4-(2-thienyloxy)phenyl]methyl]pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[5-oxo-1-[(4-thiophen-2-yloxyphenyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: S-[5-oxo-1-[(4-thiophen-2-yloxyphenyl)methyl]pyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[5-keto-1-[4-(2-thienyloxy)benzyl]pyrrolidin-3-yl] ester Formula: C17H17NO3S2 MolecularWeight: 347.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CS3

Isomeric SMILES

CC(=O)SC1CC(=O)N(C1)CC2=CC=C(C=C2)OC3=CC=CS3

InChI

InChI=1S/C17H17NO3S2/c1-12(19)23-15-9-16(20)18(11-15)10-13-4-6-14(7-5-13)21-17-3-2-8-22-17/h2-8,15H,9-11H2,1H3