dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]succinic acid dimethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c1-26-16(23)10-14(18(24)27-2)21-19(25)22-9-5-6-12(11-22)17-20-13-7-3-4-8-15(13)28-17/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H,21,25)/t12?,14-/m0/s1