(3-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate

Systemtic Name: (3-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate Openeye Name: (3-ethoxycarbonylphenyl) 4,4-dimethylthiochromane-6-carboxylate CAS Name: 4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-carboxylic acid (3-ethoxycarbonylphenyl) ester IUPAC Name: (3-ethoxycarbonylphenyl) 4,4-dimethyl-2,3-dihydrothiochromene-6-carboxylate Traditional Name: 4,4-dimethylthiochroman-6-carboxylic acid (3-carbethoxyphenyl) ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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