N-propan-2-ylmethanamide; S-[1-(1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate

Systemtic Name: N-propan-2-ylmethanamide; S-[1-(1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate Openeye Name: N-isopropylformamide; S-(1-thiazol-2-ylazetidin-3-yl) ethanethioate CAS Name: ethanethioic acid S-[1-(2-thiazolyl)-3-azetidinyl] ester; N-propan-2-ylformamide IUPAC Name: N-propan-2-ylformamide; S-[1-(1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate Traditional Name: ethanethioic acid S-(1-thiazol-2-ylazetidin-3-yl) ester; N-isopropylformamide Formula: C12H19N3O2S2 MolecularWeight: 301.42816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC=O.CC(=O)SC1CN(C1)C2=NC=CS2

Isomeric SMILES

CC(C)NC=O.CC(=O)SC1CN(C1)C2=NC=CS2

InChI

InChI=1S/C8H10N2OS2.C4H9NO/c1-6(11)13-7-4-10(5-7)8-9-2-3-12-8;1-4(2)5-3-6/h2-3,7H,4-5H2,1H3;3-4H,1-2H3,(H,5,6)