ethyl 2-(naphthalen-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(naphthalen-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2-naphthylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2-naphthalenylamino)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(naphthalen-2-ylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2-naphthylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H22N2O3S MolecularWeight: 394.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N2O3S/c1-2-27-21(25)19-17-9-5-6-10-18(17)28-20(19)24-22(26)23-16-12-11-14-7-3-4-8-15(14)13-16/h3-4,7-8,11-13H,2,5-6,9-10H2,1H3,(H2,23,24,26)