O4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl) O1-ethyl benzene-1,4-dicarboxylate

Systemtic Name: O4-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl) O1-ethyl benzene-1,4-dicarboxylate Openeye Name: O4-(4,4-dimethylthiochroman-6-yl) O1-ethyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl) ester O1-ethyl ester IUPAC Name: 4-O-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl) 1-O-ethyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-(4,4-dimethylthiochroman-6-yl) ester O1-ethyl ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)SCCC3(C)C

InChI

InChI=1S/C21H22O4S/c1-4-24-19(22)14-5-7-15(8-6-14)20(23)25-16-9-10-18-17(13-16)21(2,3)11-12-26-18/h5-10,13H,4,11-12H2,1-3H3