2-carbamothioyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid

Systemtic Name: 2-carbamothioyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Openeye Name: 2-carbamothioyl-4-(o-tolyl)-2-[3-(3-thienylmethoxy)phenoxy]butanoic acid CAS Name: 2-carbamothioyl-4-(2-methylphenyl)-2-[3-(3-thiophenylmethoxy)phenoxy]butanoic acid IUPAC Name: 2-carbamothioyl-4-(2-methylphenyl)-2-[3-(thiophen-3-ylmethoxy)phenoxy]butanoic acid Traditional Name: 4-(o-tolyl)-2-[3-(3-thenyloxy)phenoxy]-2-thiocarbamoyl-butyric acid Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=S)N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=S)N)(C(=O)O)OC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C23H23NO4S2/c1-16-5-2-3-6-18(16)9-11-23(21(24)29,22(25)26)28-20-8-4-7-19(13-20)27-14-17-10-12-30-15-17/h2-8,10,12-13,15H,9,11,14H2,1H3,(H2,24,29)(H,25,26)