N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-oxidanidyl-4-oxidanylidene-1-propyl-quinoline-3-carboximidate

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-oxidanidyl-4-oxidanylidene-1-propyl-quinoline-3-carboximidate Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxido-4-oxo-1-propyl-quinoline-3-carboximidate CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxido-4-oxo-1-propyl-3-quinolinecarboximidate IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxido-4-oxo-1-propylquinoline-3-carboximidate Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-4-keto-2-oxido-1-propyl-quinoline-3-carboximidate Formula: C20H14ClN3O3S-2 MolecularWeight: 411.86146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=C(S3)C=C(C=C4)Cl)[O-]

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=NC3=NC4=C(S3)C=C(C=C4)Cl)[O-]

InChI

InChI=1S/C20H16ClN3O3S/c1-2-9-24-14-6-4-3-5-12(14)17(25)16(19(24)27)18(26)23-20-22-13-8-7-11(21)10-15(13)28-20/h3-8,10,27H,2,9H2,1H3,(H,22,23,26)/p-2