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

Systemtic Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-11(2)15(17(22)24-3)20-18(23)21-10-6-8-13(21)16-19-12-7-4-5-9-14(12)25-16/h4-5,7,9,11,13,15H,6,8,10H2,1-3H3,(H,20,23)/t13?,15-/m0/s1