1-methoxy-4-methyl-benzene; 4-sulfanylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-methoxy-4-methyl-benzene; 4-sulfanylpyrrolidine-2-carboxylic acid Openeye Name: 1-methoxy-4-methyl-benzene; 4-sulfanylpyrrolidine-2-carboxylic acid CAS Name: 4-mercapto-2-pyrrolidinecarboxylic acid; 1-methoxy-4-methylbenzene IUPAC Name: 1-methoxy-4-methylbenzene; 4-sulfanylpyrrolidine-2-carboxylic acid Traditional Name: 4-mercaptoproline; 1-methoxy-4-methyl-benzene Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC.C1C(CNC1C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)OC.C1C(CNC1C(=O)O)S

InChI

InChI=1S/C8H10O.C5H9NO2S/c1-7-3-5-8(9-2)6-4-7;7-5(8)4-1-3(9)2-6-4/h3-6H,1-2H3;3-4,6,9H,1-2H2,(H,7,8)