[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,4-dimethoxyanilino)-2-oxo-ethyl] 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethoxyanilino)-2-oxoethyl] 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-4-13-5-8-18-14(9-13)10-19(28-18)21(24)27-12-20(23)22-16-7-6-15(25-2)11-17(16)26-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,22,23)