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

Systemtic Name: methyl 2-[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c1-4-23-11-13(9-20-23)10-22(2)12-16(24)21-18-17(19(25)26-3)14-7-5-6-8-15(14)27-18/h9,11H,4-8,10,12H2,1-3H3,(H,21,24)