7-azanyl-8-oxidanylidene-3-[(E)-2-(4-oxidanylidenethiopyrano[2,3-b]pyridin-2-yl)sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-2-(4-oxidanylidenethiopyrano[2,3-b]pyridin-2-yl)sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(E)-2-(4-oxothiopyrano[2,3-b]pyridin-2-yl)sulfanylvinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[(E)-2-[(4-oxo-2-thiopyrano[2,3-b]pyridinyl)thio]ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(E)-2-(4-oxothiopyrano[2,3-b]pyridin-2-yl)sulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(E)-2-[(4-ketothiopyrano[2,3-b]pyridin-2-yl)thio]vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H13N3O4S3 MolecularWeight: 419.49782

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C=CSC3=CC(=O)C4=C(S3)N=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)/C=C/SC3=CC(=O)C4=C(S3)N=CC=C4

InChI

InChI=1S/C17H13N3O4S3/c18-12-15(22)20-13(17(23)24)8(7-26-16(12)20)3-5-25-11-6-10(21)9-2-1-4-19-14(9)27-11/h1-6,12,16H,7,18H2,(H,23,24)/b5-3+