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

Systemtic Name: 3-chloranyl-8-oxidanylidene-7-[(2-sulfo-2-thiophen-3-yl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-chloro-8-oxo-7-[[2-sulfo-2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-8-oxo-7-[[1-oxo-2-sulfo-2-(3-thiophenyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-8-oxo-7-[(2-sulfo-2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-chloro-8-keto-7-[[2-sulfo-2-(3-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H11ClN2O7S3 MolecularWeight: 438.88364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)S(=O)(=O)O)C(=O)O)Cl

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CSC=C3)S(=O)(=O)O)C(=O)O)Cl

InChI

InChI=1S/C13H11ClN2O7S3/c14-6-4-25-12-7(11(18)16(12)8(6)13(19)20)15-10(17)9(26(21,22)23)5-1-2-24-3-5/h1-3,7,9,12H,4H2,(H,15,17)(H,19,20)(H,21,22,23)