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

Systemtic Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-12(2)16(18(23)25-3)21-19(24)22-10-6-7-13(11-22)17-20-14-8-4-5-9-15(14)26-17/h4-5,8-9,12-13,16H,6-7,10-11H2,1-3H3,(H,21,24)/t13?,16-/m0/s1