1,3-benzothiazol-2-ylmethyl 3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-3-yl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate CAS Name: 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate Traditional Name: 3-(2-keto-3,4-dihydro-1H-quinolin-3-yl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NC2=CC=CC=C21)CCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C(C(=O)NC2=CC=CC=C21)CCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H18N2O3S/c23-19(25-12-18-21-16-7-3-4-8-17(16)26-18)10-9-14-11-13-5-1-2-6-15(13)22-20(14)24/h1-8,14H,9-12H2,(H,22,24)