[2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-1,3-oxathiolan-4-yl] ethanoate

Systemtic Name: [2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-1,3-oxathiolan-4-yl] ethanoate Openeye Name: [2-[[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-1,3-oxathiolan-4-yl] acetate CAS Name: acetic acid [2-[oxo-[[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]amino]methyl]-1,3-oxathiolan-4-yl] ester IUPAC Name: [2-[[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-1,3-oxathiolan-4-yl] acetate Traditional Name: acetic acid [2-[[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]carbamoyl]-1,3-oxathiolan-4-yl] ester Formula: C19H17N3O4S3 MolecularWeight: 447.55098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1COC(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC(=O)OC1COC(S1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C19H17N3O4S3/c1-11(23)26-16-9-25-18(29-16)17(24)21-13-4-5-14-15(7-13)28-19(22-14)27-10-12-3-2-6-20-8-12/h2-8,16,18H,9-10H2,1H3,(H,21,24)