2-(1,3-benzothiazol-2-yl)-4-(2-methylpropanoylamino)phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-(2-methylpropanoylamino)phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-(2-methylpropanoylamino)phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-methyl-1-oxopropyl)amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-(2-methylpropanoylamino)phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-(isobutyrylamino)phenolate Formula: C17H15N2O2S- MolecularWeight: 311.3782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1)[O-])C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1)[O-])C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H16N2O2S/c1-10(2)16(21)18-11-7-8-14(20)12(9-11)17-19-13-5-3-4-6-15(13)22-17/h3-10,20H,1-2H3,(H,18,21)/p-1