2-(1,3-benzothiazol-2-yl)-4-[(3-butoxyphenyl)carbonylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxyphenyl)carbonylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)amino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(3-butoxyphenyl)-oxomethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)amino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3-butoxybenzoyl)amino]phenolate Formula: C24H21N2O3S- MolecularWeight: 417.50014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O3S/c1-2-3-13-29-18-8-6-7-16(14-18)23(28)25-17-11-12-21(27)19(15-17)24-26-20-9-4-5-10-22(20)30-24/h4-12,14-15,27H,2-3,13H2,1H3,(H,25,28)/p-1