1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid

Systemtic Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid Openeye Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid CAS Name: 1-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid IUPAC Name: 1-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid Traditional Name: 1-[2-(1,3-benzothiazol-2-ylthio)acetyl]-3,4-dihydro-2H-quinoline-8-carboxylic acid Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC(=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC2=CC=CC(=C2N(C1)C(=O)CSC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C19H16N2O3S2/c22-16(11-25-19-20-14-8-1-2-9-15(14)26-19)21-10-4-6-12-5-3-7-13(17(12)21)18(23)24/h1-3,5,7-9H,4,6,10-11H2,(H,23,24)