methyl 3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenyl-benzoate

Systemtic Name: methyl 3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenyl-benzoate Openeye Name: methyl 3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-5-phenyl-benzoate CAS Name: 3-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]-5-phenylbenzoic acid methyl ester IUPAC Name: methyl 3-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-5-phenylbenzoate Traditional Name: 3-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-5-phenyl-benzoic acid methyl ester Formula: C23H19N3O2S MolecularWeight: 401.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O2S/c1-28-23(27)20-12-17(11-19(14-20)18-5-3-2-4-6-18)13-21(22-25-8-10-29-22)15-26-9-7-24-16-26/h2-14,16H,15H2,1H3/b21-13+