ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C20H24N6O3S2 MolecularWeight: 460.57296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C(C)N2C(=NN=C2SCCC3=CC=CC=C3)N)C

InChI

InChI=1S/C20H24N6O3S2/c1-4-29-17(28)15-12(2)22-19(31-15)23-16(27)13(3)26-18(21)24-25-20(26)30-11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-11H2,1-3H3,(H2,21,24)(H,22,23,27)