3-chloranyl-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-chloranyl-8-oxidanylidene-7-[(3-oxidanyl-3-oxidanylidene-2-thiophen-2-yl-propanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-7-[[3-hydroxy-3-oxo-2-(2-thienyl)propanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-7-[(3-hydroxy-1,3-dioxo-2-thiophen-2-ylpropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-7-[(3-hydroxy-3-oxo-2-thiophen-2-ylpropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-chloro-7-[[3-hydroxy-3-keto-2-(2-thienyl)propanoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H11ClN2O6S2 MolecularWeight: 402.82994

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=O)O)C(=O)O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CS3)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C14H11ClN2O6S2/c15-5-4-25-12-8(11(19)17(12)9(5)14(22)23)16-10(18)7(13(20)21)6-2-1-3-24-6/h1-3,7-8,12H,4H2,(H,16,18)(H,20,21)(H,22,23)