methyl (E)-3-[4-(2-indol-1-yl-2-oxidanylidene-ethyl)-1-(2-phenylsulfanylethyl)-4H-pyridin-3-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(2-indol-1-yl-2-oxidanylidene-ethyl)-1-(2-phenylsulfanylethyl)-4H-pyridin-3-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(2-indol-1-yl-2-oxo-ethyl)-1-(2-phenylsulfanylethyl)-4H-pyridin-3-yl]prop-2-enoate CAS Name: (E)-3-[4-[2-(1-indolyl)-2-oxoethyl]-1-[2-(phenylthio)ethyl]-4H-pyridin-3-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(2-indol-1-yl-2-oxoethyl)-1-(2-phenylsulfanylethyl)-4H-pyridin-3-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-indol-1-yl-2-keto-ethyl)-1-[2-(phenylthio)ethyl]-4H-pyridin-3-yl]acrylic acid methyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CN(C=CC1CC(=O)N2C=CC3=CC=CC=C32)CCSC4=CC=CC=C4

Isomeric SMILES

COC(=O)/C=C/C1=CN(C=CC1CC(=O)N2C=CC3=CC=CC=C32)CCSC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3S/c1-32-27(31)12-11-23-20-28(17-18-33-24-8-3-2-4-9-24)15-13-22(23)19-26(30)29-16-14-21-7-5-6-10-25(21)29/h2-16,20,22H,17-19H2,1H3/b12-11+