(3-methylquinoxalin-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3SCC(=O)N(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3=CC=CC=C3SCC(=O)N(C)C

InChI

InChI=1S/C21H21N3O3S/c1-14-18(23-17-10-6-5-9-16(17)22-14)12-27-21(26)15-8-4-7-11-19(15)28-13-20(25)24(2)3/h4-11H,12-13H2,1-3H3