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

Systemtic Name: ethyl 6-azanyl-2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate Openeye Name: ethyl 6-amino-2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate CAS Name: 6-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoate Traditional Name: 6-amino-2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]hexanoic acid ethyl ester Formula: C21H31N3O5S MolecularWeight: 437.55294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN)C(=O)OCC

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(CCCCN)C(=O)OCC

InChI

InChI=1S/C21H31N3O5S/c1-3-28-20(26)14-24-16-10-5-6-11-17(16)30-18(13-19(24)25)23-15(9-7-8-12-22)21(27)29-4-2/h5-6,10-11,15,18,23H,3-4,7-9,12-14,22H2,1-2H3