methyl 2-cyano-2-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-[(2-methylthiazol-4-yl)methyl]piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C21H22N6O2S MolecularWeight: 422.50338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C21H22N6O2S/c1-14-23-15(13-30-14)12-26-7-9-27(10-8-26)20-19(16(11-22)21(28)29-2)24-17-5-3-4-6-18(17)25-20/h3-6,13,16H,7-10,12H2,1-2H3