[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3,5-dimethylbenzoate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)N2[C@H](CSC3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C25H23NO3S/c1-17-12-18(2)14-20(13-17)25(28)29-15-24(27)26-21-10-6-7-11-23(21)30-16-22(26)19-8-4-3-5-9-19/h3-14,22H,15-16H2,1-2H3/t22-/m1/s1