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

Systemtic Name: ethyl 2-[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)CN(C)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)CN(C)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C21H30N4O3S/c1-5-25-12-15(10-22-25)11-24(4)13-18(26)23-20-19(21(27)28-6-2)16-8-7-14(3)9-17(16)29-20/h10,12,14H,5-9,11,13H2,1-4H3,(H,23,26)