butyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]methylamino]-4-methylsulfanyl-butanoate

Systemtic Name: butyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]methylamino]-4-methylsulfanyl-butanoate Openeye Name: butyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]phenyl]methylamino]butanoate CAS Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]methylamino]-4-(methylthio)butanoic acid butyl ester IUPAC Name: butyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]methylamino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzyl]amino]butyric acid butyl ester Formula: C30H36N2O2S MolecularWeight: 488.68404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CCSC)NCC1=C(C=C(C=C1)C=CC2=CN=CC=C2)C3=CC=CC=C3C

Isomeric SMILES

CCCCOC(=O)C(CCSC)NCC1=C(C=C(C=C1)/C=C/C2=CN=CC=C2)C3=CC=CC=C3C

InChI

InChI=1S/C30H36N2O2S/c1-4-5-18-34-30(33)29(16-19-35-3)32-22-26-15-14-24(12-13-25-10-8-17-31-21-25)20-28(26)27-11-7-6-9-23(27)2/h6-15,17,20-21,29,32H,4-5,16,18-19,22H2,1-3H3/b13-12+