(phenylmethyl) 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: benzyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4-methyl-thiazole-5-carboxylic acid benzyl ester Formula: C20H24N6O3S2 MolecularWeight: 460.57296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC2=CC=CC=C2)C)N3C(=NN=C3SCC)N

InChI

InChI=1S/C20H24N6O3S2/c1-4-14(26-18(21)24-25-20(26)30-5-2)16(27)23-19-22-12(3)15(31-19)17(28)29-11-13-9-7-6-8-10-13/h6-10,14H,4-5,11H2,1-3H3,(H2,21,24)(H,22,23,27)