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

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 4-ethylbenzoate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic 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:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N2[C@H](CSC3=CC=CC=C32)C4=CC=CC=C4

InChI

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