ethyl 2,6-dimethyl-5-(phenylcarbonyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-5-(phenylcarbonyl)-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-benzoyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-benzoyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-benzoyl-2,6-dimethyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-benzoyl-2,6-dimethyl-4-(2-thienyl)-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C21H21NO3S/c1-4-25-21(24)18-14(3)22-13(2)17(19(18)16-11-8-12-26-16)20(23)15-9-6-5-7-10-15/h5-12,19,22H,4H2,1-3H3