ethyl 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C22H24O3S MolecularWeight: 368.48916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C=C(C)C2=CC3=C(C=C2)SC(CO3)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)SC(CO3)(C)C

InChI

InChI=1S/C22H24O3S/c1-5-24-21(23)17-8-6-16(7-9-17)12-15(2)18-10-11-20-19(13-18)25-14-22(3,4)26-20/h6-13H,5,14H2,1-4H3/b15-12+