methyl 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[[2-(2-furyl)thiazol-4-yl]methyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[[2-(2-furanyl)-4-thiazolyl]methyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[[2-(2-furyl)thiazol-4-yl]methyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CSC(=N3)C4=CC=CO4

InChI

InChI=1S/C21H21N3O4S/c1-27-21(26)16-6-4-15(5-7-16)20(25)24-10-8-23(9-11-24)13-17-14-29-19(22-17)18-3-2-12-28-18/h2-7,12,14H,8-11,13H2,1H3