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

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-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-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H19ClO4S MolecularWeight: 426.91256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(C)C

InChI

InChI=1S/C23H19ClO4S/c1-12(2)16-10-17-14(9-20(25)28-18(17)8-13(16)3)11-27-23(26)22-21(24)15-6-4-5-7-19(15)29-22/h4-10,12H,11H2,1-3H3