3-[(1,2-dimethyl-6-oxidanylidene-pyridin-4-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(1,2-dimethyl-6-oxidanylidene-pyridin-4-yl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1,2-dimethyl-6-oxo-4-pyridyl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(1,2-dimethyl-6-oxo-4-pyridinyl)thio]methyl]-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: 3-[(1,2-dimethyl-6-oxopyridin-4-yl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[(2-keto-1,6-dimethyl-4-pyridyl)thio]methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)N1C)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=O)N1C)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)O

InChI

InChI=1S/C21H21N3O5S3/c1-11-6-14(8-16(26)23(11)2)31-9-12-10-32-20-17(19(27)24(20)18(12)21(28)29)22-15(25)7-13-4-3-5-30-13/h3-6,8,17,20H,7,9-10H2,1-2H3,(H,22,25)(H,28,29)