7-[(2-azanyl-1,3-thiazol-4-yl)-[(E)-pent-2-enoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-1,3-thiazol-4-yl)-[(E)-pent-2-enoyl]amino]-8-oxidanylidene-3-(2H-1,2,3-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-aminothiazol-4-yl)-[(E)-pent-2-enoyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-amino-4-thiazolyl)-[(E)-1-oxopent-2-enyl]amino]-8-oxo-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-1,3-thiazol-4-yl)-[(E)-pent-2-enoyl]amino]-8-oxo-3-(2H-triazol-4-ylsulfanylmethylsulfanyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-aminothiazol-4-yl)-[(E)-pent-2-enoyl]amino]-8-keto-3-[(2H-triazol-4-ylthio)methylthio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H19N7O4S4 MolecularWeight: 525.64796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(=O)N(C1C2N(C1=O)C(=C(CS2)SCSC3=NNN=C3)C(=O)O)C4=CSC(=N4)N

Isomeric SMILES

CC/C=C/C(=O)N(C1C2N(C1=O)C(=C(CS2)SCSC3=NNN=C3)C(=O)O)C4=CSC(=N4)N

InChI

InChI=1S/C18H19N7O4S4/c1-2-3-4-12(26)24(10-7-31-18(19)21-10)14-15(27)25-13(17(28)29)9(6-30-16(14)25)32-8-33-11-5-20-23-22-11/h3-5,7,14,16H,2,6,8H2,1H3,(H2,19,21)(H,28,29)(H,20,22,23)/b4-3+