[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]acetic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C21H19N3O4S/c1-13-12-29-21(23-13)17(10-22)19(26)11-28-20(27)9-18-16-6-4-3-5-15(16)7-8-24(18)14(2)25/h3-8,12,17-18H,9,11H2,1-2H3/t17-,18+/m0/s1