[2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [2-(2,5-diethylphenyl)-2-oxidanylidene-ethyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-(2,5-diethylphenyl)-2-oxo-ethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-(2,5-diethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-(2,5-diethylphenyl)-2-keto-ethyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)CC2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CCC1=CC(=C(C=C1)CC)C(=O)COC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO4S/c1-3-14-9-10-15(4-2)16(11-14)18(24)13-27-21(25)12-20-22(26)23-17-7-5-6-8-19(17)28-20/h5-11,20H,3-4,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1