1-butyl-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 1-butyl-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-4-oxidanylidene-quinolin-2-olate Openeye Name: 1-butyl-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-4-oxo-quinolin-2-olate CAS Name: 1-butyl-3-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-4-oxo-2-quinolinolate IUPAC Name: 1-butyl-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-4-oxoquinolin-2-olate Traditional Name: 1-butyl-4-keto-3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]quinolin-2-olate Formula: C22H20N3O3S- MolecularWeight: 406.4775

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)NC3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C22H21N3O3S/c1-3-4-11-25-16-8-6-5-7-14(16)19(26)18(21(25)28)20(27)24-22-23-15-10-9-13(2)12-17(15)29-22/h5-10,12,28H,3-4,11H2,1-2H3,(H,23,24,27)/p-1