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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-3-phenyl-propionic acid Formula: C22H23NO6S MolecularWeight: 429.48612

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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)OC

Isomeric SMILES

CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H23NO6S/c1-14(24)30-19(21(26)16-8-10-17(29-2)11-9-16)13-20(25)23-18(22(27)28)12-15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3,(H,23,25)(H,27,28)