(Z)-2,3-dimethyl-4-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]but-2-enal

Systemtic Name: (Z)-2,3-dimethyl-4-[3-(phenylcarbonyl)-1H-isothiochromen-1-yl]but-2-enal Openeye Name: (Z)-4-(3-benzoyl-1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enal CAS Name: (Z)-4-(3-benzoyl-1H-2-benzothiopyran-1-yl)-2,3-dimethyl-2-butenal IUPAC Name: (Z)-4-(3-benzoyl-1H-isothiochromen-1-yl)-2,3-dimethylbut-2-enal Traditional Name: (Z)-4-(3-benzoyl-1H-isothiochromen-1-yl)-2,3-dimethyl-but-2-enal Formula: C22H20O2S MolecularWeight: 348.458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)C=O)CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3

Isomeric SMILES

C/C(=C(\C)/C=O)/CC1C2=CC=CC=C2C=C(S1)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20O2S/c1-15(16(2)14-23)12-20-19-11-7-6-10-18(19)13-21(25-20)22(24)17-8-4-3-5-9-17/h3-11,13-14,20H,12H2,1-2H3/b16-15-