3,4-bis[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3,4-bis[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,4-bis[[2-(o-tolylmethylsulfanyl)acetyl]amino]benzoic acid CAS Name: 3,4-bis[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,4-bis[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,4-bis[[2-[(2-methylbenzyl)thio]acetyl]amino]benzoic acid Formula: C27H28N2O4S2 MolecularWeight: 508.65222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C=C(C=C2)C(=O)O)NC(=O)CSCC3=CC=CC=C3C

InChI

InChI=1S/C27H28N2O4S2/c1-18-7-3-5-9-21(18)14-34-16-25(30)28-23-12-11-20(27(32)33)13-24(23)29-26(31)17-35-15-22-10-6-4-8-19(22)2/h3-13H,14-17H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)