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

Systemtic Name: 3-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)acryloyl]amino]phenyl]thio]acetyl]amino]-4-chloro-benzoic acid Formula: C32H26ClN3O6S MolecularWeight: 616.08334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26ClN3O6S/c1-42-24-9-5-6-20(16-24)17-28(36-30(38)21-7-3-2-4-8-21)31(39)34-23-11-13-25(14-12-23)43-19-29(37)35-27-18-22(32(40)41)10-15-26(27)33/h2-18H,19H2,1H3,(H,34,39)(H,35,37)(H,36,38)(H,40,41)/b28-17-