methyl 2-[[2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(pyridazin-4-ylmethoxymethyl)benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-(4-pyridazinylmethoxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-(pyridazin-4-ylmethoxymethyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(pyridazin-4-ylmethoxymethyl)benzoyl]amino]butyric acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CN=NC=C3)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COCC3=CN=NC=C3)C(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C26H29N3O4S/c1-18-6-4-5-7-21(18)23-14-19(16-33-17-20-10-12-27-28-15-20)8-9-22(23)25(30)29-24(11-13-34-3)26(31)32-2/h4-10,12,14-15,24H,11,13,16-17H2,1-3H3,(H,29,30)