methyl 2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoate

Systemtic Name: methyl 2-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoate Openeye Name: methyl 2-[3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)prop-1-ynyl]benzoate CAS Name: 2-[3-oxo-3-[4-(2-thiazolyl)-1-piperazinyl]prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzoate Traditional Name: 2-[3-keto-3-(4-thiazol-2-ylpiperazino)prop-1-ynyl]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C#CC(=O)N2CCN(CC2)C3=NC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C#CC(=O)N2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C18H17N3O3S/c1-24-17(23)15-5-3-2-4-14(15)6-7-16(22)20-9-11-21(12-10-20)18-19-8-13-25-18/h2-5,8,13H,9-12H2,1H3