2-[2-[[3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl]oxy]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[[3-butyl-3-ethyl-1,1-bis(oxidanylidene)-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl]oxy]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl)oxy]acetyl]amino]acetic acid CAS Name: 2-[[2-[(3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl)oxy]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-butyl-3-ethyl-1,1-dioxo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl)oxy]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-butyl-3-ethyl-1,1-diketo-5-phenyl-2,4-dihydro-1$l^{6},5-benzothiazepin-7-yl)oxy]acetyl]amino]acetic acid Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CN(C2=C(C=CC(=C2)OCC(=O)NCC(=O)O)S(=O)(=O)C1)C3=CC=CC=C3)CC

Isomeric SMILES

CCCCC1(CN(C2=C(C=CC(=C2)OCC(=O)NCC(=O)O)S(=O)(=O)C1)C3=CC=CC=C3)CC

InChI

InChI=1S/C25H32N2O6S/c1-3-5-13-25(4-2)17-27(19-9-7-6-8-10-19)21-14-20(11-12-22(21)34(31,32)18-25)33-16-23(28)26-15-24(29)30/h6-12,14H,3-5,13,15-18H2,1-2H3,(H,26,28)(H,29,30)