2-[3-[(1-ethoxy-1-oxidanylidene-decan-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-decan-2-yl)amino]-4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanoic acid Openeye Name: 2-[3-(1-ethoxycarbonylnonylamino)-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid CAS Name: 2-[3-[(1-ethoxy-1-oxodecan-2-yl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid IUPAC Name: 2-[3-[(1-ethoxy-1-oxodecan-2-yl)amino]-4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Traditional Name: 2-[3-(1-carbethoxynonylamino)-4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl]acetic acid Formula: C29H38N2O5S MolecularWeight: 526.68742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)OCC)NC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(C(=O)OCC)NC1C(SC2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C29H38N2O5S/c1-3-5-6-7-8-12-17-22(29(35)36-4-2)30-26-27(21-15-10-9-11-16-21)37-24-19-14-13-18-23(24)31(28(26)34)20-25(32)33/h9-11,13-16,18-19,22,26-27,30H,3-8,12,17,20H2,1-2H3,(H,32,33)