methyl 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethylpentanoyl)-3-methoxy-4-oxidanyl-1-benzothiophene-6-carboxylate

Systemtic Name: methyl 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethylpentanoyl)-3-methoxy-4-oxidanyl-1-benzothiophene-6-carboxylate Openeye Name: methyl 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-benzothiophene-6-carboxylate CAS Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethyl-1-oxopentyl)-4-hydroxy-3-methoxy-1-benzothiophene-6-carboxylic acid methyl ester IUPAC Name: methyl 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-1-benzothiophene-6-carboxylate Traditional Name: 7-(3,4-dimethoxyphenyl)-2-ethyl-5-(3-ethylpentanoyl)-4-hydroxy-3-methoxy-benzothiophene-6-carboxylic acid methyl ester Formula: C28H34O7S MolecularWeight: 514.63036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C(=C2S1)C3=CC(=C(C=C3)OC)OC)C(=O)OC)C(=O)CC(CC)CC)O)OC

Isomeric SMILES

CCC1=C(C2=C(C(=C(C(=C2S1)C3=CC(=C(C=C3)OC)OC)C(=O)OC)C(=O)CC(CC)CC)O)OC

InChI

InChI=1S/C28H34O7S/c1-8-15(9-2)13-17(29)22-23(28(31)35-7)21(16-11-12-18(32-4)19(14-16)33-5)27-24(25(22)30)26(34-6)20(10-3)36-27/h11-12,14-15,30H,8-10,13H2,1-7H3