7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-cyanoprop-2-enyl]sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(E)-3-cyanoprop-2-enyl]sulfanyl-8-oxidanylidene-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(E)-3-cyanoallyl]sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(E)-3-cyanoprop-2-enyl]thio]-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-3-cyanoprop-2-enyl]sulfanyl-8-oxo-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[(E)-3-cyanoallyl]thio]-8-keto-4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H16N6O5S3 MolecularWeight: 480.54114

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)SCC=CC#N

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3CSC(=C(N3C2=O)C(=O)O)SC/C=C/C#N

InChI

InChI=1S/C17H16N6O5S3/c1-28-22-10(8-6-31-17(19)20-8)13(24)21-11-9-7-30-16(29-5-3-2-4-18)12(15(26)27)23(9)14(11)25/h2-3,6,9,11H,5,7H2,1H3,(H2,19,20)(H,21,24)(H,26,27)/b3-2+,22-10+