[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone

Systemtic Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone Openeye Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-(4-ethoxyphenyl)methanone CAS Name: [(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(4-ethoxyphenyl)methanone IUPAC Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-ethoxyphenyl)methanone Traditional Name: [(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-p-phenetyl-methanone Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O2S/c1-2-25-17-11-9-15(10-12-17)21(24)23-13-5-6-16(14-23)20-22-18-7-3-4-8-19(18)26-20/h3-4,7-12,16H,2,5-6,13-14H2,1H3/t16-/m0/s1