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

Systemtic Name: [1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2-ethoxyphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2-ethoxyanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2-ethoxyanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-(o-phenetylcarbamoyl)propyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H25NO4S/c1-3-16(20(23)22-15-10-6-7-11-17(15)25-4-2)26-21(24)19-13-14-9-5-8-12-18(14)27-19/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3,(H,22,23)