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

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-[(1-ethoxycarbonyl-3-phenyl-propyl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-[(1-carbethoxy-3-phenyl-propyl)amino]-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C29H30N2O5S MolecularWeight: 518.6239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC2C(SC3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CCC1=CC=CC=C1)NC2C(SC3=CC=CC=C3N(C2=O)CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O5S/c1-2-36-29(35)22(18-17-20-11-5-3-6-12-20)30-26-27(21-13-7-4-8-14-21)37-24-16-10-9-15-23(24)31(28(26)34)19-25(32)33/h3-16,22,26-27,30H,2,17-19H2,1H3,(H,32,33)