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

Systemtic Name: methyl 3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(3R)-3-(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)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-15-9-10-16(23(28)29-2)12-19(15)24-21(27)14-26-11-5-6-17(13-26)22-25-18-7-3-4-8-20(18)30-22/h3-4,7-10,12,17H,5-6,11,13-14H2,1-2H3,(H,24,27)/t17-/m1/s1