4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde

Systemtic Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethoxy]-3-methoxy-benzaldehyde Openeye Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethoxy]-3-methoxy-benzaldehyde CAS Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethoxy]-3-methoxybenzaldehyde IUPAC Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethoxy]-3-methoxybenzaldehyde Traditional Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethoxy]-3-methoxy-benzaldehyde Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H22N2O4S/c1-27-19-11-15(13-25)8-9-18(19)28-14-21(26)24-10-4-5-16(12-24)22-23-17-6-2-3-7-20(17)29-22/h2-3,6-9,11,13,16H,4-5,10,12,14H2,1H3/t16-/m1/s1