4-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]phthalic acid

Systemtic Name: 4-[[1-ethanoylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]phthalic acid Openeye Name: 4-[[1-(acetylsulfanylmethyl)-2-(o-tolyl)ethyl]carbamoyl]phthalic acid CAS Name: 4-[[[1-(acetylthio)-3-(2-methylphenyl)propan-2-yl]amino]-oxomethyl]phthalic acid IUPAC Name: 4-[[1-acetylsulfanyl-3-(2-methylphenyl)propan-2-yl]carbamoyl]phthalic acid Traditional Name: 4-[[1-[(acetylthio)methyl]-2-(o-tolyl)ethyl]carbamoyl]phthalic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(CSC(=O)C)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-12-5-3-4-6-14(12)9-16(11-29-13(2)23)22-19(24)15-7-8-17(20(25)26)18(10-15)21(27)28/h3-8,10,16H,9,11H2,1-2H3,(H,22,24)(H,25,26)(H,27,28)