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

Systemtic Name: diethyl 2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)carbonylamino]pentanedioate Openeye Name: diethyl 2-[(4-benzyloxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]pentanedioate CAS Name: 2-[[oxo-(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazin-7-yl)methyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-phenylmethoxycarbonyl-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]pentanedioate Traditional Name: 2-[(4-carbobenzoxy-2,3-dihydro-1,4-benzothiazine-7-carbonyl)amino]glutaric acid diethyl ester Formula: C26H30N2O7S MolecularWeight: 514.5906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(CCS2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC2=C(C=C1)N(CCS2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H30N2O7S/c1-3-33-23(29)13-11-20(25(31)34-4-2)27-24(30)19-10-12-21-22(16-19)36-15-14-28(21)26(32)35-17-18-8-6-5-7-9-18/h5-10,12,16,20H,3-4,11,13-15,17H2,1-2H3,(H,27,30)