7-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)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-[[(E)-2-(2-azanyl-1,3-thiazol-4-yl)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-[[(E)-2-(2-aminothiazol-4-yl)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-[[(E)-2-(2-amino-4-thiazolyl)-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-[[(E)-2-(2-amino-1,3-thiazol-4-yl)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-[[(E)-2-(2-aminothiazol-4-yl)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

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SCSC4=NNN=C4)C(=O)O

Isomeric SMILES

CC/C=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)SCSC4=NNN=C4)C(=O)O

InChI

InChI=1S/C18H19N7O4S4/c1-2-3-8(9-5-31-18(19)21-9)14(26)22-12-15(27)25-13(17(28)29)10(6-30-16(12)25)32-7-33-11-4-20-24-23-11/h3-5,12,16H,2,6-7H2,1H3,(H2,19,21)(H,22,26)(H,28,29)(H,20,23,24)/b8-3+