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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H18Cl2O4S MolecularWeight: 461.35762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl)C(C)C

InChI

InChI=1S/C23H18Cl2O4S/c1-11(2)16-9-17-13(7-20(26)29-18(17)6-12(16)3)10-28-23(27)22-21(25)15-5-4-14(24)8-19(15)30-22/h4-9,11H,10H2,1-3H3