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

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-(1,3-benzothiazol-2-ylmethoxy)ethanoate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-(1,3-benzothiazol-2-ylmethoxy)acetate CAS Name: 2-(1,3-benzothiazol-2-ylmethoxy)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-ylmethoxy)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylmethoxy)acetic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)COCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H15N3O4S2/c1-11-10-26-18(20-11)12(6-19)14(22)7-25-17(23)9-24-8-16-21-13-4-2-3-5-15(13)27-16/h2-5,10,12H,7-9H2,1H3/t12-/m1/s1