2-(1,3-benzothiazol-2-yl)-4-[(3,4,5-triethoxyphenyl)carbonylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4,5-triethoxyphenyl)carbonylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4,5-triethoxybenzoyl)amino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4,5-triethoxybenzoyl)amino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(3,4,5-triethoxybenzoyl)amino]phenolate Formula: C26H25N2O5S- MolecularWeight: 477.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C26H26N2O5S/c1-4-31-21-13-16(14-22(32-5-2)24(21)33-6-3)25(30)27-17-11-12-20(29)18(15-17)26-28-19-9-7-8-10-23(19)34-26/h7-15,29H,4-6H2,1-3H3,(H,27,30)/p-1