4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-1-methyl-2-oxidanylidene-3H-quinoxaline-6-carboxylic acid

Systemtic Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]-1-methyl-2-oxidanylidene-3H-quinoxaline-6-carboxylic acid Openeye Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid CAS Name: 4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid IUPAC Name: 4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-1-methyl-2-oxo-3H-quinoxaline-6-carboxylic acid Traditional Name: 4-[2-(1,3-benzothiazol-2-ylthio)acetyl]-2-keto-1-methyl-3H-quinoxaline-6-carboxylic acid Formula: C19H15N3O4S2 MolecularWeight: 413.4701

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=C1C=CC(=C2)C(=O)O)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C(=O)CN(C2=C1C=CC(=C2)C(=O)O)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15N3O4S2/c1-21-13-7-6-11(18(25)26)8-14(13)22(9-16(21)23)17(24)10-27-19-20-12-4-2-3-5-15(12)28-19/h2-8H,9-10H2,1H3,(H,25,26)