(E)-2-azanyl-2-[2-(2-methylphenyl)phenyl]carbonyl-3-(methylsulfanylmethyl)-5-pyridin-3-yl-pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-2-[2-(2-methylphenyl)phenyl]carbonyl-3-(methylsulfanylmethyl)-5-pyridin-3-yl-pent-4-enoic acid Openeye Name: (E)-2-amino-3-(methylsulfanylmethyl)-2-[2-(o-tolyl)benzoyl]-5-(3-pyridyl)pent-4-enoic acid CAS Name: (E)-2-amino-2-[[2-(2-methylphenyl)phenyl]-oxomethyl]-3-[(methylthio)methyl]-5-(3-pyridinyl)-4-pentenoic acid IUPAC Name: (E)-2-amino-2-[2-(2-methylphenyl)benzoyl]-3-(methylsulfanylmethyl)-5-pyridin-3-ylpent-4-enoic acid Traditional Name: (E)-2-amino-3-[(methylthio)methyl]-2-[2-(o-tolyl)benzoyl]-5-(3-pyridyl)pent-4-enoic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(C(CSC)C=CC3=CN=CC=C3)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=CC=CC=C2C(=O)C(C(CSC)/C=C/C3=CN=CC=C3)(C(=O)O)N

InChI

InChI=1S/C26H26N2O3S/c1-18-8-3-4-10-21(18)22-11-5-6-12-23(22)24(29)26(27,25(30)31)20(17-32-2)14-13-19-9-7-15-28-16-19/h3-16,20H,17,27H2,1-2H3,(H,30,31)/b14-13+