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

Systemtic Name: 3-(1-bromanylnaphthalen-2-yl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(1-bromo-2-naphthyl)sulfanyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(1-bromo-2-naphthalenyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(1-bromonaphthalen-2-yl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(1-bromo-2-naphthyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H19BrN2O4S2 MolecularWeight: 555.46336

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=C(C5=CC=CC=C5C=C4)Br

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=C(C5=CC=CC=C5C=C4)Br

InChI

InChI=1S/C25H19BrN2O4S2/c26-20-16-9-5-4-8-15(16)10-11-17(20)34-18-13-33-24-21(23(30)28(24)22(18)25(31)32)27-19(29)12-14-6-2-1-3-7-14/h1-11,21,24H,12-13H2,(H,27,29)(H,31,32)