ethyl 4-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-4-piperidinyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)isonipecotoyl]amino]benzoic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C21H23N5O3S/c1-2-29-19(28)16-5-7-17(8-6-16)22-18(27)15-9-13-26(14-10-15)21-24-23-20(30-21)25-11-3-4-12-25/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,22,27)