(2S)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methylimino]-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile

Systemtic Name: (2S)-3-[(3-methoxy-4-phenylmethoxy-phenyl)methylimino]-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile Openeye Name: (2S)-3-[(4-benzyloxy-3-methoxy-phenyl)methylimino]-2-(4-methylthiazol-2-yl)propanenitrile CAS Name: (2S)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylimino]-2-(4-methyl-2-thiazolyl)propanenitrile IUPAC Name: (2S)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylimino]-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: (2S)-3-(4-benzoxy-3-methoxy-benzyl)imino-2-(4-methylthiazol-2-yl)propionitrile Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C=NCC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C#N

InChI

InChI=1S/C22H21N3O2S/c1-16-15-28-22(25-16)19(11-23)13-24-12-18-8-9-20(21(10-18)26-2)27-14-17-6-4-3-5-7-17/h3-10,13,15,19H,12,14H2,1-2H3/t19-/m1/s1