4,6-dimethyl-5-(phenylmethyl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 4,6-dimethyl-5-(phenylmethyl)-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 5-benzyl-4,6-dimethyl-3-[1-(1-piperidyl)ethylideneamino]thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 4,6-dimethyl-5-(phenylmethyl)-3-[1-(1-piperidinyl)ethylideneamino]-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 5-benzyl-4,6-dimethyl-3-(1-piperidin-1-ylethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 5-benzyl-4,6-dimethyl-3-(1-piperidinoethylideneamino)thieno[2,3-b]pyridine-2-carboxylic acid Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)O)N=C(C)N4CCCCC4

Isomeric SMILES

CC1=C2C(=C(SC2=NC(=C1CC3=CC=CC=C3)C)C(=O)O)N=C(C)N4CCCCC4

InChI

InChI=1S/C24H27N3O2S/c1-15-19(14-18-10-6-4-7-11-18)16(2)25-23-20(15)21(22(30-23)24(28)29)26-17(3)27-12-8-5-9-13-27/h4,6-7,10-11H,5,8-9,12-14H2,1-3H3,(H,28,29)