methyl 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C20H23N3O3S/c1-14-16(20(24)25-2)11-15(26-14)12-22-7-9-23(10-8-22)13-19-21-17-5-3-4-6-18(17)27-19/h3-6,11H,7-10,12-13H2,1-2H3