ethyl 5-[(1-cyclopropylcarbonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-cyclopropylcarbonylpiperidin-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[1-(cyclopropanecarbonyl)isonipecotoyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C21H24N2O4S/c1-2-27-21(26)18-12-15-11-16(5-6-17(15)28-18)22-19(24)13-7-9-23(10-8-13)20(25)14-3-4-14/h5-6,11-14H,2-4,7-10H2,1H3,(H,22,24)