8-oxidanylidene-3-(4-oxidanylidenethiochromen-2-yl)sulfanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-3-(4-oxidanylidenethiochromen-2-yl)sulfanyl-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-3-[(4-oxo-1-benzothiopyran-2-yl)thio]-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[(4-ketothiochromen-2-yl)thio]-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H18N2O5S3 MolecularWeight: 510.60512

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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=CC(=O)C5=CC=CC=C5S4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC(=O)C5=CC=CC=C5S4

InChI

InChI=1S/C24H18N2O5S3/c27-15-11-19(33-16-9-5-4-8-14(15)16)34-17-12-32-23-20(22(29)26(23)21(17)24(30)31)25-18(28)10-13-6-2-1-3-7-13/h1-9,11,20,23H,10,12H2,(H,25,28)(H,30,31)