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

Systemtic Name: propyl 2-[2-(3-methylpyrazol-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-methyl-1-pyrazolyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=CC(=N3)C

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C=CC(=N3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-10-24-18(23)16-13-6-4-5-7-14(13)25-17(16)19-15(22)11-21-9-8-12(2)20-21/h8-9H,3-7,10-11H2,1-2H3,(H,19,22)