7-(1-hydroxyethyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(1-hydroxyethyl)-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(1-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1-hydroxyethyl)-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(1-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(1-hydroxyethyl)-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C11H13N5O4S3 MolecularWeight: 375.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(SS2)CSC3=NN=NN3C)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(SS2)CSC3=NN=NN3C)C(=O)O)O

InChI

InChI=1S/C11H13N5O4S3/c1-4(17)6-8(18)16-7(10(19)20)5(22-23-9(6)16)3-21-11-12-13-14-15(11)2/h4,6,9,17H,3H2,1-2H3,(H,19,20)