3-(aminocarbonyloxymethyl)-7-[[(2Z)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(aminocarbonyloxymethyl)-7-[[(2Z)-2-(3-chloranyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(oxidanylamino)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(3-chloro-4-oxo-cyclohexa-2,5-dien-1-ylidene)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(3-chloro-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(hydroxyamino)-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(3-chloro-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(hydroxyamino)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(carbamoyloxymethyl)-7-[[(2Z)-2-(3-chloro-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-(hydroxyamino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H15ClN4O8S MolecularWeight: 470.841

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=C3C=CC(=O)C(=C3)Cl)NO)C(=O)O)COC(=O)N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=C/3\C=CC(=O)C(=C3)Cl)/NO)C(=O)O)COC(=O)N

InChI

InChI=1S/C17H15ClN4O8S/c18-8-3-6(1-2-9(8)23)10(21-29)13(24)20-11-14(25)22-12(16(26)27)7(4-30-17(19)28)5-31-15(11)22/h1-3,11,15,21,29H,4-5H2,(H2,19,28)(H,20,24)(H,26,27)/b10-6-