3-[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[4-[[(Z)-2-benzamido-3-pyridin-3-yl-prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[4-[[(Z)-2-benzamido-3-(3-pyridyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[4-[[(Z)-2-benzamido-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[4-[[(Z)-2-benzamido-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[4-[[(Z)-2-benzamido-3-(3-pyridyl)acryloyl]amino]phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C32H28N4O5S MolecularWeight: 580.65352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)C(=CC3=CN=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CN=CC=C3)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H28N4O5S/c1-20-10-11-24(32(40)41)18-27(20)35-29(37)21(2)42-26-14-12-25(13-15-26)34-31(39)28(17-22-7-6-16-33-19-22)36-30(38)23-8-4-3-5-9-23/h3-19,21H,1-2H3,(H,34,39)(H,35,37)(H,36,38)(H,40,41)/b28-17-