ethyl (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate

Systemtic Name: ethyl (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate Openeye Name: ethyl (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate CAS Name: (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylate Traditional Name: (1S,3R)-4-cyano-1-ethoxy-2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazole-3-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(C(=C2N1C3=CC=CC=C3S2)C#N)C(=O)OCC

Isomeric SMILES

CCO[C@H]1C[C@H](C(=C2N1C3=CC=CC=C3S2)C#N)C(=O)OCC

InChI

InChI=1S/C17H18N2O3S/c1-3-21-15-9-11(17(20)22-4-2)12(10-18)16-19(15)13-7-5-6-8-14(13)23-16/h5-8,11,15H,3-4,9H2,1-2H3/t11-,15+/m1/s1