prop-1-ynyl 4-(3,4-dimethyl-3-oxidanyl-2,4-dihydrothiochromen-7-yl)-3-methyl-2-oxidanyl-benzoate

Systemtic Name: prop-1-ynyl 4-(3,4-dimethyl-3-oxidanyl-2,4-dihydrothiochromen-7-yl)-3-methyl-2-oxidanyl-benzoate Openeye Name: prop-1-ynyl 2-hydroxy-4-(3-hydroxy-3,4-dimethyl-thiochroman-7-yl)-3-methyl-benzoate CAS Name: 2-hydroxy-4-(3-hydroxy-3,4-dimethyl-2,4-dihydro-1-benzothiopyran-7-yl)-3-methylbenzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 2-hydroxy-4-(3-hydroxy-3,4-dimethyl-2,4-dihydrothiochromen-7-yl)-3-methylbenzoate Traditional Name: 2-hydroxy-4-(3-hydroxy-3,4-dimethyl-thiochroman-7-yl)-3-methyl-benzoic acid prop-1-ynyl ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=C(C(=C(C=C1)C2=CC3=C(C=C2)C(C(CS3)(C)O)C)C)O

Isomeric SMILES

CC#COC(=O)C1=C(C(=C(C=C1)C2=CC3=C(C=C2)C(C(CS3)(C)O)C)C)O

InChI

InChI=1S/C22H22O4S/c1-5-10-26-21(24)18-9-8-16(13(2)20(18)23)15-6-7-17-14(3)22(4,25)12-27-19(17)11-15/h6-9,11,14,23,25H,12H2,1-4H3