2-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: 2-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: 2-[(4-oxido-4-oxo-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-oxido-1,4-dioxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate IUPAC Name: 2-[(4-oxido-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-keto-4-oxido-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Formula: C13H13NO5S-2 MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H15NO5S/c15-9(5-6-10(16)17)14-12-11(13(18)19)7-3-1-2-4-8(7)20-12/h1-6H2,(H,14,15)(H,16,17)(H,18,19)/p-2