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

Systemtic Name: ethyl (1S,2S)-2-[[1,3-benzothiazol-6-ylcarbonyl-(phenylmethyl)amino]methyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(benzyl)amino]methyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[[[1,3-benzothiazol-6-yl(oxo)methyl]-(phenylmethyl)amino]methyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(benzyl)amino]methyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[[1,3-benzothiazole-6-carbonyl(benzyl)amino]methyl]cyclopropanecarboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1CN(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1CN(CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C22H22N2O3S/c1-2-27-22(26)18-10-17(18)13-24(12-15-6-4-3-5-7-15)21(25)16-8-9-19-20(11-16)28-14-23-19/h3-9,11,14,17-18H,2,10,12-13H2,1H3/t17-,18+/m1/s1