[2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-oxo-ethyl] 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid [2-[2,5-dimethyl-1-(4-methyl-2-thiazolyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid [2-[2,5-dimethyl-1-(4-methylthiazol-2-yl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1=CC(=C(N1C2=NC(=CS2)C)C)C(=O)COC(=O)CSC3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20N4O3S2/c1-13-11-31-22(24-13)26-14(2)8-16(15(26)3)19(27)10-29-21(28)12-30-20-9-23-17-6-4-5-7-18(17)25-20/h4-9,11H,10,12H2,1-3H3