methyl (2R)-2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)C3CC3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C19H24N4O3S/c1-3-23-17(14-9-10-14)21-22-19(23)27-12-16(24)20-15(18(25)26-2)11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,20,24)/t15-/m1/s1