(6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-[(4-methylthiazol-2-yl)sulfonylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-[(4-methyl-2-thiazolyl)sulfonylmethyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-[(4-methyl-1,3-thiazol-2-yl)sulfonylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-3-[(4-methylthiazol-2-yl)sulfonylmethyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H17N3O6S4 MolecularWeight: 499.60408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)S(=O)(=O)CC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CC1=CSC(=N1)S(=O)(=O)CC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C18H17N3O6S4/c1-9-6-30-18(19-9)31(26,27)8-10-7-29-16-13(15(23)21(16)14(10)17(24)25)20-12(22)5-11-3-2-4-28-11/h2-4,6,13,16H,5,7-8H2,1H3,(H,20,22)(H,24,25)/t13-,16-/m1/s1