2-[[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[4-(4-chloranylphenoxy)phenyl]-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-[4-(4-chlorophenoxy)phenyl]-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-[4-(4-chlorophenoxy)phenyl]-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C27H24ClNO6S MolecularWeight: 526.00056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C27H24ClNO6S/c1-17(30)36-24(16-25(31)29-23(27(33)34)15-18-5-3-2-4-6-18)26(32)19-7-11-21(12-8-19)35-22-13-9-20(28)10-14-22/h2-14,23-24H,15-16H2,1H3,(H,29,31)(H,33,34)