ethyl 2-[2-(6-azanylindazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(6-azanylindazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(6-aminoindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(6-amino-1-indazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(6-aminoindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(6-aminoindazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=C(C=CC(=C4)N)C=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C4=C(C=CC(=C4)N)C=N3

InChI

InChI=1S/C20H22N4O3S/c1-2-27-20(26)18-14-5-3-4-6-16(14)28-19(18)23-17(25)11-24-15-9-13(21)8-7-12(15)10-22-24/h7-10H,2-6,11,21H2,1H3,(H,23,25)