methyl 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate

Systemtic Name: methyl 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-1,3-thiazolidin-2-yl]benzoate Openeye Name: methyl 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-thiazolidin-2-yl]benzoate CAS Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thiazolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-1,3-thiazolidin-2-yl]benzoate Traditional Name: 4-[3-[2-(1H-imidazol-5-yl)ethyl]-4-keto-thiazolidin-2-yl]benzoic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CCC3=CN=CN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)CCC3=CN=CN3

InChI

InChI=1S/C16H17N3O3S/c1-22-16(21)12-4-2-11(3-5-12)15-19(14(20)9-23-15)7-6-13-8-17-10-18-13/h2-5,8,10,15H,6-7,9H2,1H3,(H,17,18)