methyl 2,6-dimethyl-5-nitro-4-[3-(phenylmethyl)thiophen-2-yl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-nitro-4-[3-(phenylmethyl)thiophen-2-yl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 4-(3-benzyl-2-thienyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-[3-(phenylmethyl)-2-thiophenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(3-benzylthiophen-2-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(3-benzyl-2-thienyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CS2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=C(C=CS2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-12-16(20(23)26-3)17(18(22(24)25)13(2)21-12)19-15(9-10-27-19)11-14-7-5-4-6-8-14/h4-10,17,21H,11H2,1-3H3