methyl 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl 6-(benzyloxycarbonylamino)-2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate CAS Name: 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl 2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid methyl ester Formula: C28H35N3O7S MolecularWeight: 557.6584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O7S/c1-3-37-26(33)18-31-22-14-7-8-15-23(22)39-24(17-25(31)32)30-21(27(34)36-2)13-9-10-16-29-28(35)38-19-20-11-5-4-6-12-20/h4-8,11-12,14-15,21,24,30H,3,9-10,13,16-19H2,1-2H3,(H,29,35)