2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-1-phenyl-butyl]amino]ethanoic acid

Systemtic Name: 2-[[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethanoylsulfanyl-2-oxidanylidene-1-phenyl-butyl]amino]ethanoic acid Openeye Name: 2-[[3-(acetylsulfanylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1-phenyl-butyl]amino]acetic acid CAS Name: 2-[[3-[(acetylthio)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1-phenylbutyl]amino]acetic acid IUPAC Name: 2-[[3-(acetylsulfanylmethyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1-phenylbutyl]amino]acetic acid Traditional Name: 2-[[3-[(acetylthio)methyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-1-phenyl-butyl]amino]acetic acid Formula: C23H25NO6S MolecularWeight: 443.5127

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC2=C(C=C1)OCCO2)C(=O)C(C3=CC=CC=C3)NCC(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CC2=C(C=C1)OCCO2)C(=O)C(C3=CC=CC=C3)NCC(=O)O

InChI

InChI=1S/C23H25NO6S/c1-15(25)31-14-18(11-16-7-8-19-20(12-16)30-10-9-29-19)23(28)22(24-13-21(26)27)17-5-3-2-4-6-17/h2-8,12,18,22,24H,9-11,13-14H2,1H3,(H,26,27)