2-[(2-chloranyl-4-methyl-phenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)amino]-2-[5-(methylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(2-chloro-4-methyl-anilino)-2-[5-(methylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(2-chloro-4-methylanilino)-2-[5-[(methylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(2-chloro-4-methylanilino)-2-[5-(methylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-(2-chloro-4-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=CC(=C(C=C1)NC(C2=CC=C(O2)CSC)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(C2=CC=C(O2)CSC)C(=O)O)Cl

InChI

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