2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-3-quinolinecarboxylate IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-3-carboxylate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]quinoline-3-carboxylate Formula: C18H11N2O2S2- MolecularWeight: 351.42214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC4=CC=CC=C4S3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)CSC3=NC4=CC=CC=C4S3)C(=O)[O-]

InChI

InChI=1S/C18H12N2O2S2/c21-17(22)12-9-11-5-1-2-6-13(11)19-15(12)10-23-18-20-14-7-3-4-8-16(14)24-18/h1-9H,10H2,(H,21,22)/p-1