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

Systemtic Name: ethyl 4-[(Z)-1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(Z)-1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate CAS Name: 4-[(Z)-1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-1-(3,3-dimethyl-2H-1,4-benzoxathiin-7-yl)prop-1-enyl]benzoate Traditional Name: 4-[(Z)-1-(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(=CC)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/c1-5-18(15-7-9-16(10-8-15)21(23)24-6-2)17-11-12-20-19(13-17)25-14-22(3,4)26-20/h5,7-13H,6,14H2,1-4H3/b18-5-