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

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C21H15ClO4S MolecularWeight: 398.8594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C21H15ClO4S/c1-11-7-15-13(9-18(23)26-16(15)8-12(11)2)10-25-21(24)20-19(22)14-5-3-4-6-17(14)27-20/h3-9H,10H2,1-2H3