2-azanyl-2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)carbonyl]hexanedioate

Systemtic Name: 2-azanyl-2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)carbonyl]hexanedioate Openeye Name: 2-amino-2-(4-benzyloxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)hexanedioate CAS Name: 2-amino-2-[oxo-(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)methyl]hexanedioate IUPAC Name: 2-amino-2-(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)hexanedioate Traditional Name: 2-amino-2-(4-carbobenzoxy-2,3-dihydro-1,4-benzothiazine-7-carbonyl)adipate Formula: C23H22N2O7S-2 MolecularWeight: 470.49498

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)C(CCCC(=O)[O-])(C(=O)[O-])N

Isomeric SMILES

C1CSC2=C(N1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C(=O)C(CCCC(=O)[O-])(C(=O)[O-])N

InChI

InChI=1S/C23H24N2O7S/c24-23(21(29)30,10-4-7-19(26)27)20(28)16-8-9-17-18(13-16)33-12-11-25(17)22(31)32-14-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14,24H2,(H,26,27)(H,29,30)/p-2