6-ethanoyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid

Systemtic Name: 6-ethanoyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Openeye Name: 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid CAS Name: 6-acetyl-2-[(2-ethyl-1-oxobutyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid IUPAC Name: 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Traditional Name: 6-acetyl-2-(2-ethylbutanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C2=C(S1)CN(CC2)C(=O)C)C(=O)O

InChI

InChI=1S/C16H22N2O4S/c1-4-10(5-2)14(20)17-15-13(16(21)22)11-6-7-18(9(3)19)8-12(11)23-15/h10H,4-8H2,1-3H3,(H,17,20)(H,21,22)