2-dimethylaminoethyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-dimethylaminoethyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-dimethylaminoethyl 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]amino]butyric acid 2-dimethylaminoethyl ester Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OCCN(C)C

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)NC(CCSC)C(=O)OCCN(C)C

InChI

InChI=1S/C30H35N3O3S/c1-22-8-5-6-10-25(22)27-20-23(11-12-24-9-7-16-31-21-24)13-14-26(27)29(34)32-28(15-19-37-4)30(35)36-18-17-33(2)3/h5-14,16,20-21,28H,15,17-19H2,1-4H3,(H,32,34)/b12-11+