2-azanyl-2-(3-sulfanylcarbonylphenyl)ethanoic acid; 1-chloranyl-4-methyl-benzene

Systemtic Name: 2-azanyl-2-(3-sulfanylcarbonylphenyl)ethanoic acid; 1-chloranyl-4-methyl-benzene Openeye Name: 2-amino-2-(3-sulfanylcarbonylphenyl)acetic acid; 1-chloro-4-methyl-benzene CAS Name: 2-amino-2-[3-[mercapto(oxo)methyl]phenyl]acetic acid; 1-chloro-4-methylbenzene IUPAC Name: 2-amino-2-(3-sulfanylcarbonylphenyl)acetic acid; 1-chloro-4-methylbenzene Traditional Name: 2-amino-2-(3-thiocarboxyphenyl)acetic acid; 1-chloro-4-methyl-benzene Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)Cl.C1=CC(=CC(=C1)C(C(=O)O)N)C(=O)S

Isomeric SMILES

CC1=CC=C(C=C1)Cl.C1=CC(=CC(=C1)C(C(=O)O)N)C(=O)S

InChI

InChI=1S/C9H9NO3S.C7H7Cl/c10-7(8(11)12)5-2-1-3-6(4-5)9(13)14;1-6-2-4-7(8)5-3-6/h1-4,7H,10H2,(H,11,12)(H,13,14);2-5H,1H3