(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H17ClO4S MolecularWeight: 400.87528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Cl)C)C=C1

InChI

InChI=1S/C21H17ClO4S/c1-11-3-4-13-7-19(27-18(13)5-11)21(24)25-10-14-8-20(23)26-17-6-12(2)16(22)9-15(14)17/h3-6,8-9,19H,7,10H2,1-2H3