[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl] ester Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H24N2O3S/c26-22(25-15-7-9-17-8-1-3-11-19(17)25)16-28-23(27)14-6-5-13-21-24-18-10-2-4-12-20(18)29-21/h1-4,8,10-12H,5-7,9,13-16H2