methyl (E)-4-(2-azanylpyridin-3-yl)-3-(methylsulfanylmethyl)-2-[(2-phenylphenyl)carbonylamino]but-3-enoate

Systemtic Name: methyl (E)-4-(2-azanylpyridin-3-yl)-3-(methylsulfanylmethyl)-2-[(2-phenylphenyl)carbonylamino]but-3-enoate Openeye Name: methyl (E)-4-(2-amino-3-pyridyl)-3-(methylsulfanylmethyl)-2-[(2-phenylbenzoyl)amino]but-3-enoate CAS Name: (E)-4-(2-amino-3-pyridinyl)-3-[(methylthio)methyl]-2-[[oxo-(2-phenylphenyl)methyl]amino]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-aminopyridin-3-yl)-3-(methylsulfanylmethyl)-2-[(2-phenylbenzoyl)amino]but-3-enoate Traditional Name: (E)-4-(2-amino-3-pyridyl)-3-[(methylthio)methyl]-2-[(2-phenylbenzoyl)amino]but-3-enoic acid methyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=CC1=C(N=CC=C1)N)CSC)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(/C(=C\C1=C(N=CC=C1)N)/CSC)NC(=O)C2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O3S/c1-31-25(30)22(19(16-32-2)15-18-11-8-14-27-23(18)26)28-24(29)21-13-7-6-12-20(21)17-9-4-3-5-10-17/h3-15,22H,16H2,1-2H3,(H2,26,27)(H,28,29)/b19-15-