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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(4-oxidanylidenethiochromen-2-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[(4-oxo-1-benzothiopyran-2-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(4-oxothiochromen-2-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(4-ketothiochromen-2-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H12N2O4S3 MolecularWeight: 392.47248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC(=O)C4=CC=CC=C4S3

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)SC3=CC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C16H12N2O4S3/c17-12-14(20)18-13(16(21)22)10(6-23-15(12)18)25-11-5-8(19)7-3-1-2-4-9(7)24-11/h1-5,12,15H,6,17H2,(H,21,22)