2-[(3-chloranyl-2-methyl-phenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(3-chloro-2-methyl-anilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(3-chloro-2-methylanilino)-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(3-chloro-2-methylanilino)-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-(3-chloro-2-methyl-anilino)-2-[5-[(methylthio)methyl]-2-furyl]acetic acid Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(C2=CC=C(O2)CSC)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(C2=CC=C(O2)CSC)C(=O)O

InChI

InChI=1S/C15H16ClNO3S/c1-9-11(16)4-3-5-12(9)17-14(15(18)19)13-7-6-10(20-13)8-21-2/h3-7,14,17H,8H2,1-2H3,(H,18,19)