3-(1,3-benzothiazol-2-ylcarbamoyl)-5,6,7,8-tetrahydroquinoline-2,4-diolate

Systemtic Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5,6,7,8-tetrahydroquinoline-2,4-diolate Openeye Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5,6,7,8-tetrahydroquinoline-2,4-diolate CAS Name: 3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-5,6,7,8-tetrahydroquinoline-2,4-diolate IUPAC Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5,6,7,8-tetrahydroquinoline-2,4-diolate Traditional Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5,6,7,8-tetrahydroquinoline-2,4-diolate Formula: C17H13N3O3S-2 MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)[O-])C(=O)NC3=NC4=CC=CC=C4S3)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)[O-])C(=O)NC3=NC4=CC=CC=C4S3)[O-]

InChI

InChI=1S/C17H15N3O3S/c21-14-9-5-1-2-6-10(9)18-15(22)13(14)16(23)20-17-19-11-7-3-4-8-12(11)24-17/h3-4,7-8H,1-2,5-6H2,(H2,18,21,22)(H,19,20,23)/p-2