ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(4-methoxycarbonylphenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(4-methoxycarbonylanilino)-oxomethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(4-carbomethoxyphenyl)carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H32N2O5S/c1-6-25(3,4)16-10-13-18-19(14-16)33-21(20(18)23(29)32-7-2)27-24(30)26-17-11-8-15(9-12-17)22(28)31-5/h8-9,11-12,16H,6-7,10,13-14H2,1-5H3,(H2,26,27,30)