methyl 4-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate CAS Name: 4-[[[2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C3CC3)N4CCCC4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NN=C(N2C3CC3)N4CCCC4

InChI

InChI=1S/C21H27N5O3S/c1-14(18(27)22-13-15-5-7-16(8-6-15)19(28)29-2)30-21-24-23-20(25-11-3-4-12-25)26(21)17-9-10-17/h5-8,14,17H,3-4,9-13H2,1-2H3,(H,22,27)