octadecyl 2-[[2-(2-methylphenyl)-4-(1-pyridin-3-ylethenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: octadecyl 2-[[2-(2-methylphenyl)-4-(1-pyridin-3-ylethenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: octadecyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[1-(3-pyridyl)vinyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[1-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid octadecyl ester IUPAC Name: octadecyl 2-[[2-(2-methylphenyl)-4-(1-pyridin-3-ylethenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[1-(3-pyridyl)vinyl]benzoyl]amino]butyric acid stearyl ester Formula: C44H62N2O3S MolecularWeight: 699.03968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C(=C)C2=CN=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)C(=C)C2=CN=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C44H62N2O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-49-44(48)42(29-32-50-4)46-43(47)40-28-27-37(36(3)38-25-23-30-45-34-38)33-41(40)39-26-21-20-24-35(39)2/h20-21,23-28,30,33-34,42H,3,5-19,22,29,31-32H2,1-2,4H3,(H,46,47)