2-[(1E,3E)-3-methyl-4-(phenylsulfinyl)buta-1,3-dienoxy]ethyl (E)-but-2-enoate

Systemtic Name: 2-[(1E,3E)-3-methyl-4-(phenylsulfinyl)buta-1,3-dienoxy]ethyl (E)-but-2-enoate Openeye Name: 2-[(1E,3E)-4-(benzenesulfinyl)-3-methyl-buta-1,3-dienoxy]ethyl (E)-but-2-enoate CAS Name: (E)-2-butenoic acid 2-[(1E,3E)-4-(benzenesulfinyl)-3-methylbuta-1,3-dienoxy]ethyl ester IUPAC Name: 2-[(1E,3E)-4-(benzenesulfinyl)-3-methylbuta-1,3-dienoxy]ethyl (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid 2-[(1E,3E)-4-(benzenesulfinyl)-3-methyl-buta-1,3-dienoxy]ethyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OCCOC=CC(=CS(=O)C1=CC=CC=C1)C

Isomeric SMILES

C/C=C/C(=O)OCCO/C=C/C(=C/S(=O)C1=CC=CC=C1)/C

InChI

InChI=1S/C17H20O4S/c1-3-7-17(18)21-13-12-20-11-10-15(2)14-22(19)16-8-5-4-6-9-16/h3-11,14H,12-13H2,1-2H3/b7-3+,11-10+,15-14+