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

Systemtic Name: 2-[(2-chloranyl-4-methyl-phenyl)amino]-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]ethanoic acid Openeye Name: 2-(2-chloro-4-methyl-anilino)-2-[5-(2-furylmethylsulfanylmethyl)-2-furyl]acetic acid CAS Name: 2-(2-chloro-4-methylanilino)-2-[5-[(2-furanylmethylthio)methyl]-2-furanyl]acetic acid IUPAC Name: 2-(2-chloro-4-methylanilino)-2-[5-(furan-2-ylmethylsulfanylmethyl)furan-2-yl]acetic acid Traditional Name: 2-(2-chloro-4-methyl-anilino)-2-[5-[(2-furfurylthio)methyl]-2-furyl]acetic acid Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(C2=CC=C(O2)CSCC3=CC=CO3)C(=O)O)Cl

InChI

InChI=1S/C19H18ClNO4S/c1-12-4-6-16(15(20)9-12)21-18(19(22)23)17-7-5-14(25-17)11-26-10-13-3-2-8-24-13/h2-9,18,21H,10-11H2,1H3,(H,22,23)