S-[1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate

Systemtic Name: S-[1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Openeye Name: S-[1-[4-[cyanomethyl(isopropyl)carbamoyl]thiazol-2-yl]azetidin-3-yl] ethanethioate CAS Name: ethanethioic acid S-[1-[4-[[cyanomethyl(propan-2-yl)amino]-oxomethyl]-2-thiazolyl]-3-azetidinyl] ester IUPAC Name: S-[1-[4-[cyanomethyl(propan-2-yl)carbamoyl]-1,3-thiazol-2-yl]azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-[1-[4-[cyanomethyl(isopropyl)carbamoyl]thiazol-2-yl]azetidin-3-yl] ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC#N)C(=O)C1=CSC(=N1)N2CC(C2)SC(=O)C

Isomeric SMILES

CC(C)N(CC#N)C(=O)C1=CSC(=N1)N2CC(C2)SC(=O)C

InChI

InChI=1S/C14H18N4O2S2/c1-9(2)18(5-4-15)13(20)12-8-21-14(16-12)17-6-11(7-17)22-10(3)19/h8-9,11H,5-7H2,1-3H3