methyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-15-7-8-17(23(28)29-2)13-19(15)24-21(27)14-26-11-9-16(10-12-26)22-25-18-5-3-4-6-20(18)30-22/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,27)