4,4-dimethyl-3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]pentanoate

Systemtic Name: 4,4-dimethyl-3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]pentanoate Openeye Name: 4,4-dimethyl-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]pentanoate CAS Name: 4,4-dimethyl-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]pentanoate IUPAC Name: 4,4-dimethyl-3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]pentanoate Traditional Name: 3-[3-(4-keto-1,3-benzothiazin-2-yl)phenyl]-4,4-dimethyl-valerate Formula: C21H20NO3S- MolecularWeight: 366.4534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)[O-])C1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C(CC(=O)[O-])C1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-21(2,3)16(12-18(23)24)13-7-6-8-14(11-13)20-22-19(25)15-9-4-5-10-17(15)26-20/h4-11,16H,12H2,1-3H3,(H,23,24)/p-1