tert-butyl 2-[4-oxidanylidene-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-oxidanylidene-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoate Openeye Name: tert-butyl 2-[2-(benzyloxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate CAS Name: 2-[4-oxo-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-oxo-2-(phenylmethoxycarbonylamino)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetate Traditional Name: 2-[2-(benzyloxycarbonylamino)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid tert-butyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-23(2,3)30-21(27)14-25-17-11-7-8-12-18(17)31-19(13-20(25)26)24-22(28)29-15-16-9-5-4-6-10-16/h4-12,19H,13-15H2,1-3H3,(H,24,28)