ethyl 2-[2-(4-hydroxyphenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-hydroxyphenyl)carbonyloxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-hydroxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(4-hydroxyphenyl)-oxomethoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-hydroxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(4-hydroxybenzoyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H25NO6S MolecularWeight: 431.502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H25NO6S/c1-4-28-22(27)18-16-10-5-12(2)11-17(16)30-20(18)23-19(25)13(3)29-21(26)14-6-8-15(24)9-7-14/h6-9,12-13,24H,4-5,10-11H2,1-3H3,(H,23,25)