2-[2-[(4-ethoxy-4-oxidanylidene-3-phenyl-butyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-ethoxy-4-oxidanylidene-3-phenyl-butyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[2-[(4-ethoxy-4-oxo-3-phenyl-butyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[2-[(4-ethoxy-4-oxo-3-phenylbutyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[2-[(4-ethoxy-4-oxo-3-phenylbutyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[2-[(4-ethoxy-4-keto-3-phenyl-butyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCNC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CCNC1CC(=O)N(C2=CC=CC=C2S1)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O5S/c1-2-30-23(29)17(16-8-4-3-5-9-16)12-13-24-20-14-21(26)25(15-22(27)28)18-10-6-7-11-19(18)31-20/h3-11,17,20,24H,2,12-15H2,1H3,(H,27,28)