methyl 4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenyl-benzoate

Systemtic Name: methyl 4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenyl-benzoate Openeye Name: methyl 4-(3-imidazol-1-yl-2-thiazol-2-yl-propyl)-2-phenyl-benzoate CAS Name: 4-[3-(1-imidazolyl)-2-(2-thiazolyl)propyl]-2-phenylbenzoic acid methyl ester IUPAC Name: methyl 4-[3-imidazol-1-yl-2-(1,3-thiazol-2-yl)propyl]-2-phenylbenzoate Traditional Name: 4-(3-imidazol-1-yl-2-thiazol-2-yl-propyl)-2-phenyl-benzoic acid methyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)CC(CN2C=CN=C2)C3=NC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)CC(CN2C=CN=C2)C3=NC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O2S/c1-28-23(27)20-8-7-17(14-21(20)18-5-3-2-4-6-18)13-19(22-25-10-12-29-22)15-26-11-9-24-16-26/h2-12,14,16,19H,13,15H2,1H3