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

Systemtic Name: dimethyl 2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)carbonylamino]hexanedioate Openeye Name: dimethyl 2-[(4-benzyloxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]hexanedioate CAS Name: 2-[[oxo-(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)methyl]amino]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]hexanedioate Traditional Name: 2-[(4-carbobenzoxy-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]adipic acid dimethyl ester Formula: C25H28N2O7S MolecularWeight: 500.56402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCC(C(=O)OC)NC(=O)C1=CC2=C(C=C1)N(CCS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O7S/c1-32-22(28)10-6-9-19(24(30)33-2)26-23(29)18-11-12-20-21(15-18)35-14-13-27(20)25(31)34-16-17-7-4-3-5-8-17/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16H2,1-2H3,(H,26,29)