3-methyl-5-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylic acid

Systemtic Name: 3-methyl-5-[2-(2-oxidanylideneazepan-1-yl)ethanoylamino]thiophene-2-carboxylic acid Openeye Name: 3-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid CAS Name: 3-methyl-5-[[1-oxo-2-(2-oxo-1-azepanyl)ethyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 3-methyl-5-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-[[2-(2-ketoazepan-1-yl)acetyl]amino]-3-methyl-2-thenoic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=O)CN2CCCCCC2=O)C(=O)O

Isomeric SMILES

CC1=C(SC(=C1)NC(=O)CN2CCCCCC2=O)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c1-9-7-11(21-13(9)14(19)20)15-10(17)8-16-6-4-2-3-5-12(16)18/h7H,2-6,8H2,1H3,(H,15,17)(H,19,20)