methyl 4-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)carbonyl]benzoate

Systemtic Name: methyl 4-[(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)carbonyl]benzoate Openeye Name: methyl 4-(4,4-dimethylthiochromane-6-carbonyl)benzoate CAS Name: 4-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4,4-dimethyl-2,3-dihydrothiochromene-6-carbonyl)benzoate Traditional Name: 4-(4,4-dimethylthiochroman-6-carbonyl)benzoic acid methyl ester Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C20H20O3S/c1-20(2)10-11-24-17-9-8-15(12-16(17)20)18(21)13-4-6-14(7-5-13)19(22)23-3/h4-9,12H,10-11H2,1-3H3