[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethoxy-4-methoxy-2-nitrophenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-(5-ethoxy-4-methoxy-2-nitro-phenyl)methanone Formula: C22H23N3O5S MolecularWeight: 441.50012

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O5S/c1-3-30-19-11-15(17(25(27)28)12-18(19)29-2)22(26)24-10-6-7-14(13-24)21-23-16-8-4-5-9-20(16)31-21/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3/t14-/m0/s1