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

Systemtic Name: propan-2-yl 2-[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C22H32N4O3S MolecularWeight: 432.57948

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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)OC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O3S/c1-6-26-15(4)16(11-23-26)12-25(5)13-19(27)24-21-20(22(28)29-14(2)3)17-9-7-8-10-18(17)30-21/h11,14H,6-10,12-13H2,1-5H3,(H,24,27)