1,3-benzothiazol-2-ylmethyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N2O3S/c1-14(24)23-11-10-15-6-2-3-7-16(15)18(23)12-21(25)26-13-20-22-17-8-4-5-9-19(17)27-20/h2-11,18H,12-13H2,1H3/t18-/m0/s1