S-[1-[4-(pyrrolidin-3-ylcarbamoyl)-1,3-oxazol-2-yl]azetidin-3-yl] ethanethioate

Systemtic Name: S-[1-[4-(pyrrolidin-3-ylcarbamoyl)-1,3-oxazol-2-yl]azetidin-3-yl] ethanethioate Openeye Name: S-[1-[4-(pyrrolidin-3-ylcarbamoyl)oxazol-2-yl]azetidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[oxo-(3-pyrrolidinylamino)methyl]-2-oxazolyl]-3-azetidinyl] ester IUPAC Name: S-[1-[4-(pyrrolidin-3-ylcarbamoyl)-1,3-oxazol-2-yl]azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-(pyrrolidin-3-ylcarbamoyl)oxazol-2-yl]azetidin-3-yl] ester Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CO2)C(=O)NC3CCNC3

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CO2)C(=O)NC3CCNC3

InChI

InChI=1S/C13H18N4O3S/c1-8(18)21-10-5-17(6-10)13-16-11(7-20-13)12(19)15-9-2-3-14-4-9/h7,9-10,14H,2-6H2,1H3,(H,15,19)