methyl (E)-2-benzamido-3-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]amino]prop-2-enoate

Systemtic Name: methyl (E)-2-benzamido-3-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]amino]prop-2-enoate Openeye Name: methyl (E)-2-benzamido-3-[[6-(p-tolylsulfanyl)-3-pyridyl]amino]prop-2-enoate CAS Name: (E)-2-benzamido-3-[[6-[(4-methylphenyl)thio]-3-pyridinyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-benzamido-3-[[6-(4-methylphenyl)sulfanylpyridin-3-yl]amino]prop-2-enoate Traditional Name: (E)-2-benzamido-3-[[6-(p-tolylthio)-3-pyridyl]amino]acrylic acid methyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=C(C=C2)NC=C(C(=O)OC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=C(C=C2)N/C=C(\C(=O)OC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-16-8-11-19(12-9-16)30-21-13-10-18(14-25-21)24-15-20(23(28)29-2)26-22(27)17-6-4-3-5-7-17/h3-15,24H,1-2H3,(H,26,27)/b20-15+