methyl 4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-thiophen-3-yl-benzoate

Systemtic Name: methyl 4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-thiophen-3-yl-benzoate Openeye Name: methyl 4-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-2-(3-thienyl)benzoate CAS Name: 4-[(E)-3-(1-imidazolyl)-2-(2-thiazolyl)prop-1-enyl]-2-(3-thiophenyl)benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-imidazol-1-yl-2-(1,3-thiazol-2-yl)prop-1-enyl]-2-thiophen-3-ylbenzoate Traditional Name: 4-[(E)-3-imidazol-1-yl-2-thiazol-2-yl-prop-1-enyl]-2-(3-thienyl)benzoic acid methyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O2S2/c1-26-21(25)18-3-2-15(11-19(18)16-4-8-27-13-16)10-17(20-23-6-9-28-20)12-24-7-5-22-14-24/h2-11,13-14H,12H2,1H3/b17-10+