ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbonylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-benzoxazol-2-yl)-4-piperidinyl]-oxomethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[1-(1,3-benzoxazol-2-yl)isonipecotoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C(=O)OCC

InChI

InChI=1S/C22H25N3O4S/c1-3-15-13-16(21(27)28-4-2)20(30-15)24-19(26)14-9-11-25(12-10-14)22-23-17-7-5-6-8-18(17)29-22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,26)