2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(2-chloro-5-methylsulfanyl-benzoyl)-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(2-chloro-5-methylsulfanylbenzoyl)-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[[2-chloro-5-(methylthio)benzoyl]-(cyclopropylmethyl)amino]acetic acid Formula: C14H16ClNO3S MolecularWeight: 313.79974

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)Cl)C(=O)N(CC2CC2)CC(=O)O

Isomeric SMILES

CSC1=CC(=C(C=C1)Cl)C(=O)N(CC2CC2)CC(=O)O

InChI

InChI=1S/C14H16ClNO3S/c1-20-10-4-5-12(15)11(6-10)14(19)16(8-13(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)