[1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [1-[(3,5-dimethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(3,5-dimethoxyphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(3,5-dimethoxyphenyl)carbamoyl]propyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)OC)OC)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H25NO5S/c1-4-17(20(23)22-14-10-15(25-2)12-16(11-14)26-3)27-21(24)19-9-13-7-5-6-8-18(13)28-19/h9-12,17H,4-8H2,1-3H3,(H,22,23)