(2S)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanal

Systemtic Name: (2S)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanal Openeye Name: (2S)-3-(4-pyridyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanal CAS Name: (2S)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanal IUPAC Name: (2S)-3-pyridin-4-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanal Traditional Name: (2S)-3-(4-pyridyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propionaldehyde Formula: C15H16N2OS MolecularWeight: 272.36534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)C(CC3=CC=NC=C3)C=O

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)[C@@H](CC3=CC=NC=C3)C=O

InChI

InChI=1S/C15H16N2OS/c18-10-12(9-11-5-7-16-8-6-11)15-17-13-3-1-2-4-14(13)19-15/h5-8,10,12H,1-4,9H2/t12-/m0/s1