methyl 6-cycloheptyl-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate

Systemtic Name: methyl 6-cycloheptyl-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Openeye Name: methyl 6-cycloheptyl-2-methyl-5-oxo-4-(2-thienyl)-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate CAS Name: 6-cycloheptyl-2-methyl-5-oxo-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-cycloheptyl-2-methyl-5-oxo-4-thiophen-2-yl-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate Traditional Name: 6-cycloheptyl-5-keto-2-methyl-4-(2-thienyl)-4,7-dihydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CN(C2=O)C3CCCCCC3)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CN(C2=O)C3CCCCCC3)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C21H26N2O3S/c1-13-17(21(25)26-2)19(16-10-7-11-27-16)18-15(22-13)12-23(20(18)24)14-8-5-3-4-6-9-14/h7,10-11,14,19,22H,3-6,8-9,12H2,1-2H3