ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-4-cyclopropyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-4-cyclopropyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)C3CCN(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H25N3O4S/c1-2-29-22(28)19-16(14-7-8-14)13-31-21(19)25-20(27)15-9-11-26(12-10-15)23-24-17-5-3-4-6-18(17)30-23/h3-6,13-15H,2,7-12H2,1H3,(H,25,27)