[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(3R)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H13N3O3S3 MolecularWeight: 403.49842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13N3O3S3/c1-10-8-24-16(19-10)11(6-18)13(21)7-23-15(22)9-25-17-20-12-4-2-3-5-14(12)26-17/h2-5,8,11H,7,9H2,1H3/t11-/m1/s1