[2-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(3-aminocarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-1,6-diphenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 3-methyl-1,6-diphenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-1,6-diphenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-[(3-carbamoyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C32H29N5O4S MolecularWeight: 579.66876

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC(=NC4=C3C(=NN4C5=CC=CC=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)COC(=O)C3=CC(=NC4=C3C(=NN4C5=CC=CC=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C32H29N5O4S/c1-18-13-14-22-25(15-18)42-31(28(22)29(33)39)35-26(38)17-41-32(40)23-16-24(20-9-5-3-6-10-20)34-30-27(23)19(2)36-37(30)21-11-7-4-8-12-21/h3-12,16,18H,13-15,17H2,1-2H3,(H2,33,39)(H,35,38)