5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-yl)phenyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)anilino]-5-keto-3,3-dimethyl-valerate Formula: C20H19N2O3S- MolecularWeight: 367.44146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-20(2,12-18(24)25)11-17(23)21-14-9-7-13(8-10-14)19-22-15-5-3-4-6-16(15)26-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,24,25)/p-1