5-methyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 5-methyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 5-methyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 5-methyl-6-[[2-(methylthio)anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5-methyl-6-[(2-methylsulfanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 5-methyl-6-[[2-(methylthio)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C(=O)NC2=CC=CC=C2SC)C(=O)O

Isomeric SMILES

CC1C=CCC(C1C(=O)NC2=CC=CC=C2SC)C(=O)O

InChI

InChI=1S/C16H19NO3S/c1-10-6-5-7-11(16(19)20)14(10)15(18)17-12-8-3-4-9-13(12)21-2/h3-6,8-11,14H,7H2,1-2H3,(H,17,18)(H,19,20)