3-(2-dimethylaminoethylsulfanyl)propyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 3-(2-dimethylaminoethylsulfanyl)propyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 3-(2-dimethylaminoethylsulfanyl)propyl 4-(2-benzyloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylic acid 3-(2-dimethylaminoethylthio)propyl ester IUPAC Name: 3-(2-dimethylaminoethylsulfanyl)propyl 2,6-dimethyl-5-nitro-4-(2-phenylmethoxyphenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid 3-(2-dimethylaminoethylthio)propyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCCSCCN(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OCC3=CC=CC=C3)C(=O)OCCCSCCN(C)C

InChI

InChI=1S/C28H35N3O5S/c1-20-25(28(32)35-16-10-17-37-18-15-30(3)4)26(27(31(33)34)21(2)29-20)23-13-8-9-14-24(23)36-19-22-11-6-5-7-12-22/h5-9,11-14,26,29H,10,15-19H2,1-4H3