sodium (6S)-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(methoxyamino)ethanoyl]amino]-3-(furan-2-ylcarbonylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: sodium (6S)-7-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(methoxyamino)ethanoyl]amino]-3-(furan-2-ylcarbonylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: sodium (6S)-7-[[2-(2-aminothiazol-4-yl)-2-(methoxyamino)acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: sodium (6S)-7-[[2-(2-amino-4-thiazolyl)-2-(methoxyamino)-1-oxoethyl]amino]-3-[[[2-furanyl(oxo)methyl]thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: sodium (6S)-7-[[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyamino)acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: sodium (6S)-7-[[2-(2-aminothiazol-4-yl)-2-(methoxyamino)acetyl]amino]-3-[(2-furoylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H18N5NaO7S3 MolecularWeight: 547.56029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CONC(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]

Isomeric SMILES

CONC(C1=CSC(=N1)N)C(=O)NC2[C@H]3N(C2=O)C(=C(CS3)CSC(=O)C4=CC=CO4)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H19N5O7S3.Na/c1-30-23-11(9-7-34-19(20)21-9)14(25)22-12-15(26)24-13(17(27)28)8(5-32-16(12)24)6-33-18(29)10-3-2-4-31-10;/h2-4,7,11-12,16,23H,5-6H2,1H3,(H2,20,21)(H,22,25)(H,27,28);/q;+1/p-1/t11?,12?,16-;/m0./s1