methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-29-22(27)19(14-16-8-3-2-4-9-16)25-23(28)26-13-7-10-17(15-26)21-24-18-11-5-6-12-20(18)30-21/h2-6,8-9,11-12,17,19H,7,10,13-15H2,1H3,(H,25,28)/t17?,19-/m0/s1