S-[1-[[4-[4-(ethylcarbamoylamino)phenoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate

Systemtic Name: S-[1-[[4-[4-(ethylcarbamoylamino)phenoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidin-3-yl] ethanethioate Openeye Name: S-[1-[[4-[4-(ethylcarbamoylamino)phenoxy]phenyl]methyl]-5-oxo-pyrrolidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[[4-[4-(ethylcarbamoylamino)phenoxy]phenyl]methyl]-5-oxo-3-pyrrolidinyl] ester IUPAC Name: S-[1-[[4-[4-(ethylcarbamoylamino)phenoxy]phenyl]methyl]-5-oxopyrrolidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[4-(ethylcarbamoylamino)phenoxy]benzyl]-5-keto-pyrrolidin-3-yl] ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

Isomeric SMILES

CCNC(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)CN3CC(CC3=O)SC(=O)C

InChI

InChI=1S/C22H25N3O4S/c1-3-23-22(28)24-17-6-10-19(11-7-17)29-18-8-4-16(5-9-18)13-25-14-20(12-21(25)27)30-15(2)26/h4-11,20H,3,12-14H2,1-2H3,(H2,23,24,28)