[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)COC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S2/c23-18(22-10-9-14-5-1-2-6-15(14)11-22)12-25-19(24)13-26-20-21-16-7-3-4-8-17(16)27-20/h1-8H,9-13H2