7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4-methylsulfanyl-but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)-4-methylsulfanyl-but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(Z)-2-(2-aminothiazol-4-yl)-4-methylsulfanyl-but-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(Z)-2-(2-amino-4-thiazolyl)-4-(methylthio)-1-oxobut-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(Z)-2-(2-amino-1,3-thiazol-4-yl)-4-methylsulfanylbut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(Z)-2-(2-aminothiazol-4-yl)-4-(methylthio)but-2-enoyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N4O4S3 MolecularWeight: 412.50694

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Descriptors Computed from Structure

Canonical SMILES:

CSCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

Isomeric SMILES

CSC/C=C(/C1=CSC(=N1)N)\C(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O

InChI

InChI=1S/C15H16N4O4S3/c1-24-4-2-7(8-6-26-15(16)17-8)11(20)18-10-12(21)19-9(14(22)23)3-5-25-13(10)19/h2-3,6,10,13H,4-5H2,1H3,(H2,16,17)(H,18,20)(H,22,23)/b7-2-