(4-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylate

Systemtic Name: (4-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylate Openeye Name: (4-ethoxycarbonylphenyl) 4,4-dimethylthiochromane-7-carboxylate CAS Name: 4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-carboxylic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-7-carboxylate Traditional Name: 4,4-dimethylthiochroman-7-carboxylic acid (4-carbethoxyphenyl) ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CCS3)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(CCS3)(C)C

InChI

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