propyl 2-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propyl 2-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(2-furanyl)-1H-pyrazol-3-yl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propyl ester IUPAC Name: propyl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid propyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NNC(=C3)C4=CC=CO4

Isomeric SMILES

CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C20H21N3O4S/c1-2-9-27-20(25)17-12-6-3-4-8-16(12)28-19(17)21-18(24)14-11-13(22-23-14)15-7-5-10-26-15/h5,7,10-11H,2-4,6,8-9H2,1H3,(H,21,24)(H,22,23)