3-methyl-8-oxidanylidene-7-[(6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(6-hydroxy-6-oxo-hexanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(6-hydroxy-1,6-dioxohexyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(6-hydroxy-6-oxohexanoyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(6-hydroxy-6-keto-hexanoyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H18N2O6S MolecularWeight: 342.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CCCCC(=O)O)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CCCCC(=O)O)SC1)C(=O)O

InChI

InChI=1S/C14H18N2O6S/c1-7-6-23-13-10(12(20)16(13)11(7)14(21)22)15-8(17)4-2-3-5-9(18)19/h10,13H,2-6H2,1H3,(H,15,17)(H,18,19)(H,21,22)