ethyl 3-azanyl-2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butanoate dihydrobromide

Systemtic Name: ethyl 3-azanyl-2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butanoate dihydrobromide Openeye Name: ethyl 3-amino-2-[[5-(2-ethoxy-2-oxo-ethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butanoate dihydrobromide CAS Name: 3-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenylbutanoic acid ethyl ester dihydrobromide IUPAC Name: ethyl 3-amino-2-[[5-(2-ethoxy-2-oxoethyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenylbutanoate dihydrobromide Traditional Name: 3-amino-2-[[5-(2-ethoxy-2-keto-ethyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-2-yl]amino]-4-phenyl-butyric acid ethyl ester dihydrobromide Formula: C25H33Br2N3O5S MolecularWeight: 647.41962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(C(CC3=CC=CC=C3)N)C(=O)OCC.Br.Br

Isomeric SMILES

CCOC(=O)CN1C(=O)CC(SC2=CC=CC=C21)NC(C(CC3=CC=CC=C3)N)C(=O)OCC.Br.Br

InChI

InChI=1S/C25H31N3O5S.2BrH/c1-3-32-23(30)16-28-19-12-8-9-13-20(19)34-21(15-22(28)29)27-24(25(31)33-4-2)18(26)14-17-10-6-5-7-11-17;;/h5-13,18,21,24,27H,3-4,14-16,26H2,1-2H3;2*1H