1,3-benzothiazol-2-ylmethyl 2-chloranylquinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranylquinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H11ClN2O2S MolecularWeight: 354.81014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)Cl)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H11ClN2O2S/c19-16-9-12(11-5-1-2-6-13(11)20-16)18(22)23-10-17-21-14-7-3-4-8-15(14)24-17/h1-9H,10H2