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

Systemtic Name: 3-methoxy-7-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methoxy-7-[(3-methoxy-3-oxo-propanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methoxy-7-[(3-methoxy-1,3-dioxopropyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methoxy-7-[(3-methoxy-3-oxopropanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(3-keto-3-methoxy-propanoyl)amino]-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C12H14N2O7S MolecularWeight: 330.31376

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N2C(C(C2=O)NC(=O)CC(=O)OC)SC1)C(=O)O

Isomeric SMILES

COC1=C(N2C(C(C2=O)NC(=O)CC(=O)OC)SC1)C(=O)O

InChI

InChI=1S/C12H14N2O7S/c1-20-5-4-22-11-8(13-6(15)3-7(16)21-2)10(17)14(11)9(5)12(18)19/h8,11H,3-4H2,1-2H3,(H,13,15)(H,18,19)