ethyl (1S,2S)-2-[[1,3-benzothiazol-6-ylcarbonyl(butyl)amino]methyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[[1,3-benzothiazol-6-ylcarbonyl(butyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(butyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[1,3-benzothiazol-6-yl(oxo)methyl]-butylamino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(butyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(butyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1CC1C(=O)OCC)C(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCCCN(C[C@H]1C[C@@H]1C(=O)OCC)C(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C19H24N2O3S/c1-3-5-8-21(11-14-9-15(14)19(23)24-4-2)18(22)13-6-7-16-17(10-13)25-12-20-16/h6-7,10,12,14-15H,3-5,8-9,11H2,1-2H3/t14-,15+/m1/s1