2-(2-butylsulfanylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(2-butylsulfanylethanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid Openeye Name: 2-[(2-butylsulfanylacetyl)amino]-4,5-dimethyl-thiophene-3-carboxylic acid CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid IUPAC Name: 2-[(2-butylsulfanylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid Traditional Name: 2-[[2-(butylthio)acetyl]amino]-4,5-dimethyl-3-thenoic acid Formula: C13H19NO3S2 MolecularWeight: 301.42486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S2/c1-4-5-6-18-7-10(15)14-12-11(13(16)17)8(2)9(3)19-12/h4-7H2,1-3H3,(H,14,15)(H,16,17)