2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid

Systemtic Name: 2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Openeye Name: 2-[(4-hydroxy-4-oxo-butanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid CAS Name: 2-[(4-hydroxy-1,4-dioxobutyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid IUPAC Name: 2-[(4-hydroxy-4-oxobutanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Traditional Name: 2-[(4-hydroxy-4-keto-butanoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H17NO5S/c16-10(6-7-11(17)18)15-13-12(14(19)20)8-4-2-1-3-5-9(8)21-13/h1-7H2,(H,15,16)(H,17,18)(H,19,20)