(E)-2-azanyl-4-methylsulfanyl-2-(2-phenoxyphenyl)carbonyl-5-pyridin-3-yloxy-pent-4-enoic acid

Systemtic Name: (E)-2-azanyl-4-methylsulfanyl-2-(2-phenoxyphenyl)carbonyl-5-pyridin-3-yloxy-pent-4-enoic acid Openeye Name: (E)-2-amino-4-methylsulfanyl-2-(2-phenoxybenzoyl)-5-(3-pyridyloxy)pent-4-enoic acid CAS Name: (E)-2-amino-4-(methylthio)-2-[oxo-(2-phenoxyphenyl)methyl]-5-(3-pyridinyloxy)-4-pentenoic acid IUPAC Name: (E)-2-amino-4-methylsulfanyl-2-(2-phenoxybenzoyl)-5-pyridin-3-yloxypent-4-enoic acid Traditional Name: (E)-2-amino-4-(methylthio)-2-(2-phenoxybenzoyl)-5-(3-pyridyloxy)pent-4-enoic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=COC1=CN=CC=C1)CC(C(=O)C2=CC=CC=C2OC3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CS/C(=C/OC1=CN=CC=C1)/CC(C(=O)C2=CC=CC=C2OC3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H22N2O5S/c1-32-19(16-30-18-10-7-13-26-15-18)14-24(25,23(28)29)22(27)20-11-5-6-12-21(20)31-17-8-3-2-4-9-17/h2-13,15-16H,14,25H2,1H3,(H,28,29)/b19-16+