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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-1,3-benzothiazol-2-one Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-1,3-benzothiazol-2-one CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-benzothiazol-2-one Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-1,3-benzothiazol-2-one Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H16N2O2S/c21-17(19-10-9-13-5-1-2-6-14(13)11-19)12-20-15-7-3-4-8-16(15)23-18(20)22/h1-8H,9-12H2