(E)-3-[6-[(3-aminophenyl)sulfanylmethyl]-3-(8-phenyloctoxy)pyridin-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[6-[(3-aminophenyl)sulfanylmethyl]-3-(8-phenyloctoxy)pyridin-2-yl]prop-2-enoate Openeye Name: (E)-3-[6-[(3-aminophenyl)sulfanylmethyl]-3-(8-phenyloctoxy)-2-pyridyl]prop-2-enoate CAS Name: (E)-3-[6-[[(3-aminophenyl)thio]methyl]-3-(8-phenyloctoxy)-2-pyridinyl]-2-propenoate IUPAC Name: (E)-3-[6-[(3-aminophenyl)sulfanylmethyl]-3-(8-phenyloctoxy)pyridin-2-yl]prop-2-enoate Traditional Name: (E)-3-[6-[[(3-aminophenyl)thio]methyl]-3-(8-phenyloctoxy)-2-pyridyl]acrylate Formula: C29H33N2O3S- MolecularWeight: 489.64892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSC3=CC=CC(=C3)N)C=CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCOC2=C(N=C(C=C2)CSC3=CC=CC(=C3)N)/C=C/C(=O)[O-]

InChI

InChI=1S/C29H34N2O3S/c30-24-14-10-15-26(21-24)35-22-25-16-18-28(27(31-25)17-19-29(32)33)34-20-9-4-2-1-3-6-11-23-12-7-5-8-13-23/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22,30H2,(H,32,33)/p-1/b19-17+