methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H27N3O3S/c1-13(2)12-16(19(24)26-3)22-20(25)23-10-8-14(9-11-23)18-21-15-6-4-5-7-17(15)27-18/h4-7,13-14,16H,8-12H2,1-3H3,(H,22,25)/t16-/m0/s1