3-[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(2-methoxyphenyl)acryloyl]amino]phenyl]thio]acetyl]amino]benzoic acid Formula: C32H27N3O6S MolecularWeight: 581.63828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=C(C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1/C=C(/C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=CC(=C3)C(=O)O)\NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C32H27N3O6S/c1-41-28-13-6-5-10-22(28)19-27(35-30(37)21-8-3-2-4-9-21)31(38)34-24-14-16-26(17-15-24)42-20-29(36)33-25-12-7-11-23(18-25)32(39)40/h2-19H,20H2,1H3,(H,33,36)(H,34,38)(H,35,37)(H,39,40)/b27-19-