ethyl 6-(cyclooctylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

Systemtic Name: ethyl 6-(cyclooctylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxidanylidene-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Openeye Name: ethyl 6-(cyclooctylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate CAS Name: 6-[(cyclooctylamino)-oxomethyl]-6-methyl-5-[3-(methylthio)phenyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(cyclooctylcarbamoyl)-6-methyl-5-(3-methylsulfanylphenyl)-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate Traditional Name: 6-(cyclooctylcarbamoyl)-4-keto-6-methyl-5-[3-(methylthio)phenyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid ethyl ester Formula: C26H34N4O4S MolecularWeight: 498.63756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC(=CC=C3)SC)(C)C(=O)NC4CCCCCCC4

Isomeric SMILES

CCOC(=O)C1=NN2CC(N(C(=O)C2=C1)C3=CC(=CC=C3)SC)(C)C(=O)NC4CCCCCCC4

InChI

InChI=1S/C26H34N4O4S/c1-4-34-24(32)21-16-22-23(31)30(19-13-10-14-20(15-19)35-3)26(2,17-29(22)28-21)25(33)27-18-11-8-6-5-7-9-12-18/h10,13-16,18H,4-9,11-12,17H2,1-3H3,(H,27,33)