ethyl 4-[(E)-2-(4,4-dimethyl-1-oxidanylidene-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(4,4-dimethyl-1-oxidanylidene-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(4,4-dimethyl-1-oxo-2,3-dihydro-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(4,4-dimethyl-1-oxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(1-keto-4,4-dimethyl-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C23H26O3S MolecularWeight: 382.51574

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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)S(=O)CCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)/C=C(\C)/C2=CC3=C(C=C2)S(=O)CCC3(C)C

InChI

InChI=1S/C23H26O3S/c1-5-26-22(24)18-8-6-17(7-9-18)14-16(2)19-10-11-21-20(15-19)23(3,4)12-13-27(21)25/h6-11,14-15H,5,12-13H2,1-4H3/b16-14+