O3-ethyl O5-methyl 2-(3-acetamido-3-thiophen-2-yl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 2-(3-acetamido-3-thiophen-2-yl-propyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[3-acetamido-3-(2-thienyl)propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-acetamido-3-thiophen-2-ylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 2-(3-acetamido-3-thiophen-2-ylpropyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[3-acetamido-3-(2-thienyl)propyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CCC(C3=CC=CS3)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CCC(C3=CC=CS3)NC(=O)C

InChI

InChI=1S/C26H29N3O7S/c1-5-36-26(32)24-20(12-11-19(28-16(3)30)21-10-7-13-37-21)27-15(2)22(25(31)35-4)23(24)17-8-6-9-18(14-17)29(33)34/h6-10,13-14,19,23,27H,5,11-12H2,1-4H3,(H,28,30)