methyl 4-[4-(5,7-dimethyl-1-benzothiophen-2-yl)-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[4-(5,7-dimethyl-1-benzothiophen-2-yl)-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[4-(5,7-dimethylbenzothiophen-2-yl)-4-oxo-butanoyl]benzoate CAS Name: 4-[4-(5,7-dimethyl-1-benzothiophen-2-yl)-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5,7-dimethyl-1-benzothiophen-2-yl)-4-oxobutanoyl]benzoate Traditional Name: 4-[4-(5,7-dimethylbenzothiophen-2-yl)-4-keto-butanoyl]benzoic acid methyl ester Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(S2)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(S2)C(=O)CCC(=O)C3=CC=C(C=C3)C(=O)OC)C

InChI

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