(phenylmethyl) 2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]ethanoate Openeye Name: benzyl 2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]acetate CAS Name: 2-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]acetate Traditional Name: 2-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]acetic acid benzyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3)NC1=O

InChI

InChI=1S/C19H18N2O4S/c22-17-8-9-26-16-7-6-14(10-15(16)21-17)19(24)20-11-18(23)25-12-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,20,24)(H,21,22)