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

Systemtic Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]succinic acid dimethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-25-15(22)10-12(17(23)26-2)20-18(24)21-9-5-7-13(21)16-19-11-6-3-4-8-14(11)27-16/h3-4,6,8,12-13H,5,7,9-10H2,1-2H3,(H,20,24)/t12-,13?/m0/s1