O3-methyl O5-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-thiophen-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-thiophen-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-allyl O3-methyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-thienyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 3-[4-(1-imidazolylmethyl)phenyl]-2,6-dimethyl-4-(3-thiophenyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-methyl ester O5-prop-2-enyl ester IUPAC Name: 3-O-methyl 5-O-prop-2-enyl 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-thiophen-3-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 3-[4-(imidazol-1-ylmethyl)phenyl]-2,6-dimethyl-4-(3-thienyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-allyl ester O3-methyl ester Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1)C)C(=O)OCC=C)C2=CSC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C(=O)OC

Isomeric SMILES

CC1C(C(C(=C(N1)C)C(=O)OCC=C)C2=CSC=C2)(C3=CC=C(C=C3)CN4C=CN=C4)C(=O)OC

InChI

InChI=1S/C27H29N3O4S/c1-5-13-34-25(31)23-18(2)29-19(3)27(26(32)33-4,24(23)21-10-14-35-16-21)22-8-6-20(7-9-22)15-30-12-11-28-17-30/h5-12,14,16-17,19,24,29H,1,13,15H2,2-4H3