[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzothiazin-2-yl)acetic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO4S/c1-2-3-6-15-9-11-16(12-10-15)18(24)14-27-21(25)13-20-22(26)23-17-7-4-5-8-19(17)28-20/h4-5,7-12,20H,2-3,6,13-14H2,1H3,(H,23,26)