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

Systemtic Name: methyl 4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]benzoate Traditional Name: 4-[4-(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)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

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