2-[2-azanyl-5-methyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-azanyl-5-methyl-3-(4-methylsulfanylphenyl)carbonyl-phenyl]ethanoic acid Openeye Name: 2-[2-amino-5-methyl-3-(4-methylsulfanylbenzoyl)phenyl]acetic acid CAS Name: 2-[2-amino-5-methyl-3-[[4-(methylthio)phenyl]-oxomethyl]phenyl]acetic acid IUPAC Name: 2-[2-amino-5-methyl-3-(4-methylsulfanylbenzoyl)phenyl]acetic acid Traditional Name: 2-[2-amino-5-methyl-3-[4-(methylthio)benzoyl]phenyl]acetic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)SC)N)CC(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C2=CC=C(C=C2)SC)N)CC(=O)O

InChI

InChI=1S/C17H17NO3S/c1-10-7-12(9-15(19)20)16(18)14(8-10)17(21)11-3-5-13(22-2)6-4-11/h3-8H,9,18H2,1-2H3,(H,19,20)