3-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one

Systemtic Name: 3-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one Openeye Name: 3-[[4-(2-oxochromen-3-yl)thiazol-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one CAS Name: 3-[[[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]thio]methyl]-1H-quinoxalin-2-one IUPAC Name: 3-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]-1H-quinoxalin-2-one Traditional Name: 3-[[[4-(2-ketochromen-3-yl)thiazol-2-yl]thio]methyl]-1H-quinoxalin-2-one Formula: C21H13N3O3S2 MolecularWeight: 419.47622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)SCC4=NC5=CC=CC=C5NC4=O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)SCC4=NC5=CC=CC=C5NC4=O

InChI

InChI=1S/C21H13N3O3S2/c25-19-17(22-14-6-2-3-7-15(14)23-19)11-29-21-24-16(10-28-21)13-9-12-5-1-4-8-18(12)27-20(13)26/h1-10H,11H2,(H,23,25)