5-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chloro-benzoic acid CAS Name: 5-[[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)-1-oxoprop-2-enyl]amino]phenyl]thio]-1-oxopropyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[2-[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]-2-chlorobenzoic acid Traditional Name: 5-[2-[[4-[[(Z)-2-benzamido-3-(3-methoxyphenyl)acryloyl]amino]phenyl]thio]propanoylamino]-2-chloro-benzoic acid Formula: C33H28ClN3O6S MolecularWeight: 630.10992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)C(=CC3=CC(=CC=C3)OC)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)SC2=CC=C(C=C2)NC(=O)/C(=C/C3=CC(=CC=C3)OC)/NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C33H28ClN3O6S/c1-20(30(38)36-24-13-16-28(34)27(19-24)33(41)42)44-26-14-11-23(12-15-26)35-32(40)29(18-21-7-6-10-25(17-21)43-2)37-31(39)22-8-4-3-5-9-22/h3-20H,1-2H3,(H,35,40)(H,36,38)(H,37,39)(H,41,42)/b29-18-