[(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [(3R)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 1-benzothiophene-2-carboxylate Openeye Name: [(3R)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic 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] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [(3R)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C17H12N2O3S2 MolecularWeight: 356.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CC1=CSC(=N1)[C@H](C#N)C(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C17H12N2O3S2/c1-10-9-23-16(19-10)12(7-18)13(20)8-22-17(21)15-6-11-4-2-3-5-14(11)24-15/h2-6,9,12H,8H2,1H3/t12-/m1/s1