ethyl 2-[2-[(2-ethoxycarbonylphenyl)amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-ethoxycarbonylphenyl)amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-ethoxycarbonylanilino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-ethoxycarbonylanilino)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-ethoxycarbonylanilino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-carbethoxyanilino)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NCC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C23H28N2O5S/c1-4-29-22(27)15-8-6-7-9-17(15)24-13-19(26)25-21-20(23(28)30-5-2)16-11-10-14(3)12-18(16)31-21/h6-9,14,24H,4-5,10-13H2,1-3H3,(H,25,26)