methyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[3-(1-piperidyl)quinoxalin-2-yl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-(1-piperidinyl)-2-quinoxalinyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[(3-piperidin-1-ylquinoxalin-2-yl)amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(3-piperidinoquinoxalin-2-yl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCCCC4)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC2=NC3=CC=CC=C3N=C2N4CCCCC4)C

InChI

InChI=1S/C21H24N4O2S/c1-13-14(2)28-20(17(13)21(26)27-3)24-18-19(25-11-7-4-8-12-25)23-16-10-6-5-9-15(16)22-18/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,22,24)