(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-quinoxalin-2-ylsulfanylethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-quinoxalin-2-ylsulfanylacetate CAS Name: 2-(2-quinoxalinylthio)acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-quinoxalin-2-ylsulfanylacetate Traditional Name: 2-(quinoxalin-2-ylthio)acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=NC4=CC=CC=C4N=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CSC3=NC4=CC=CC=C4N=C3)Cl

InChI

InChI=1S/C21H15ClN2O4S/c1-12-6-18-14(8-15(12)22)13(7-20(25)28-18)10-27-21(26)11-29-19-9-23-16-4-2-3-5-17(16)24-19/h2-9H,10-11H2,1H3