methyl 4-[4-(4,7-dimethyl-1-benzothiophen-2-yl)-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[4-(4,7-dimethyl-1-benzothiophen-2-yl)-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[4-(4,7-dimethylbenzothiophen-2-yl)-4-oxo-butanoyl]benzoate CAS Name: 4-[4-(4,7-dimethyl-1-benzothiophen-2-yl)-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4,7-dimethyl-1-benzothiophen-2-yl)-4-oxobutanoyl]benzoate Traditional Name: 4-[4-(4,7-dimethylbenzothiophen-2-yl)-4-keto-butanoyl]benzoic acid methyl ester Formula: C22H20O4S MolecularWeight: 380.4568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(SC2=C(C=C1)C)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C=C(SC2=C(C=C1)C)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H20O4S/c1-13-4-5-14(2)21-17(13)12-20(27-21)19(24)11-10-18(23)15-6-8-16(9-7-15)22(25)26-3/h4-9,12H,10-11H2,1-3H3