1,3-benzothiazol-2-ylmethyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1,3-dioxo-4H-isoquinolin-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H16N2O4S/c23-18-11-13-5-1-2-6-14(13)20(25)22(18)10-9-19(24)26-12-17-21-15-7-3-4-8-16(15)27-17/h1-8H,9-12H2