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

Systemtic Name: ethyl 2-[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN(C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C20H28N4O3S/c1-4-24-12-14(10-21-24)11-23(3)13-17(25)22-19-18(20(26)27-5-2)15-8-6-7-9-16(15)28-19/h10,12H,4-9,11,13H2,1-3H3,(H,22,25)