1,3-benzothiazol-2-ylmethyl (4S)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (4S)-2-oxidanylidene-3,4-dihydro-1H-quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate CAS Name: (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (4S)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate Traditional Name: (4S)-2-keto-3,4-dihydro-1H-quinoline-4-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2NC1=O)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1[C@@H](C2=CC=CC=C2NC1=O)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H14N2O3S/c21-16-9-12(11-5-1-2-6-13(11)19-16)18(22)23-10-17-20-14-7-3-4-8-15(14)24-17/h1-8,12H,9-10H2,(H,19,21)/t12-/m0/s1