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

Systemtic Name: [1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-butan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: 1-[(2,6-dimethylphenyl)carbamoyl]propyl 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(2,6-dimethylanilino)-1-oxobutan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid 1-[(2,6-dimethylphenyl)carbamoyl]propyl ester Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC=C1C)C)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C21H25NO3S/c1-4-16(20(23)22-19-13(2)8-7-9-14(19)3)25-21(24)18-12-15-10-5-6-11-17(15)26-18/h7-9,12,16H,4-6,10-11H2,1-3H3,(H,22,23)