methyl 3-(3,3-dimethyl-2-oxidanylidene-azetidin-1-yl)-5-(4-pyrrolidin-1-ylphenyl)thiophene-2-carboxylate

Systemtic Name: methyl 3-(3,3-dimethyl-2-oxidanylidene-azetidin-1-yl)-5-(4-pyrrolidin-1-ylphenyl)thiophene-2-carboxylate Openeye Name: methyl 3-(3,3-dimethyl-2-oxo-azetidin-1-yl)-5-(4-pyrrolidin-1-ylphenyl)thiophene-2-carboxylate CAS Name: 3-(3,3-dimethyl-2-oxo-1-azetidinyl)-5-[4-(1-pyrrolidinyl)phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3,3-dimethyl-2-oxoazetidin-1-yl)-5-(4-pyrrolidin-1-ylphenyl)thiophene-2-carboxylate Traditional Name: 3-(2-keto-3,3-dimethyl-azetidin-1-yl)-5-(4-pyrrolidinophenyl)thiophene-2-carboxylic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C1=O)C2=C(SC(=C2)C3=CC=C(C=C3)N4CCCC4)C(=O)OC)C

Isomeric SMILES

CC1(CN(C1=O)C2=C(SC(=C2)C3=CC=C(C=C3)N4CCCC4)C(=O)OC)C

InChI

InChI=1S/C21H24N2O3S/c1-21(2)13-23(20(21)25)16-12-17(27-18(16)19(24)26-3)14-6-8-15(9-7-14)22-10-4-5-11-22/h6-9,12H,4-5,10-11,13H2,1-3H3