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

Systemtic Name: methyl 2-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[1-[5-(1-pyrrolyl)-1,3,4-thiadiazol-2-yl]-3-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carbonyl]amino]benzoate Traditional Name: 2-[[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)nipecotoyl]amino]benzoic acid methyl ester Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCCN(C2)C3=NN=C(S3)N4C=CC=C4

InChI

InChI=1S/C20H21N5O3S/c1-28-18(27)15-8-2-3-9-16(15)21-17(26)14-7-6-12-25(13-14)20-23-22-19(29-20)24-10-4-5-11-24/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,21,26)