ethyl 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3CC3)N4CCCCC4

InChI

InChI=1S/C21H27N5O3S/c1-2-29-19(28)16-8-4-5-9-17(16)22-18(27)14-30-21-24-23-20(26(21)15-10-11-15)25-12-6-3-7-13-25/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H,22,27)