5-(2-butylsulfanylethanoylamino)-3-methyl-thiophene-2-carboxylic acid

Systemtic Name: 5-(2-butylsulfanylethanoylamino)-3-methyl-thiophene-2-carboxylic acid Openeye Name: 5-[(2-butylsulfanylacetyl)amino]-3-methyl-thiophene-2-carboxylic acid CAS Name: 5-[[2-(butylthio)-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid IUPAC Name: 5-[(2-butylsulfanylacetyl)amino]-3-methylthiophene-2-carboxylic acid Traditional Name: 5-[[2-(butylthio)acetyl]amino]-3-methyl-2-thenoic acid Formula: C12H17NO3S2 MolecularWeight: 287.39828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=CC(=C(S1)C(=O)O)C

Isomeric SMILES

CCCCSCC(=O)NC1=CC(=C(S1)C(=O)O)C

InChI

InChI=1S/C12H17NO3S2/c1-3-4-5-17-7-9(14)13-10-6-8(2)11(18-10)12(15)16/h6H,3-5,7H2,1-2H3,(H,13,14)(H,15,16)