dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]glutaric acid dimethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)N1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)N1CCCC1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H23N3O5S/c1-26-16(23)10-9-13(18(24)27-2)21-19(25)22-11-5-7-14(22)17-20-12-6-3-4-8-15(12)28-17/h3-4,6,8,13-14H,5,7,9-11H2,1-2H3,(H,21,25)/t13-,14?/m0/s1