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

Systemtic Name: methyl 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzoate CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzoate Traditional Name: 4-[(3R)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-26-21(25)15-10-8-14(9-11-15)20(24)23-12-4-5-16(13-23)19-22-17-6-2-3-7-18(17)27-19/h2-3,6-11,16H,4-5,12-13H2,1H3/t16-/m1/s1