8-oxidanylidene-7-(2-phenylethanoylamino)-3-(2-propan-2-yloxyphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(2-propan-2-yloxyphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(2-isopropoxyphenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[(2-propan-2-yloxyphenyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(2-propan-2-yloxyphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(2-isopropoxyphenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H24N2O5S2 MolecularWeight: 484.58776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1SC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C24H24N2O5S2/c1-14(2)31-16-10-6-7-11-17(16)33-18-13-32-23-20(22(28)26(23)21(18)24(29)30)25-19(27)12-15-8-4-3-5-9-15/h3-11,14,20,23H,12-13H2,1-2H3,(H,25,27)(H,29,30)