[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone

Systemtic Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitro-phenyl)methanone Openeye Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethoxy-3-nitro-phenyl)methanone CAS Name: [(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-ethoxy-3-nitrophenyl)methanone IUPAC Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxy-3-nitrophenyl)methanone Traditional Name: [(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-(4-ethoxy-3-nitro-phenyl)methanone Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4S/c1-2-28-18-10-9-14(12-17(18)24(26)27)21(25)23-11-5-6-15(13-23)20-22-16-7-3-4-8-19(16)29-20/h3-4,7-10,12,15H,2,5-6,11,13H2,1H3/t15-/m1/s1