methyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N5O3S2 MolecularWeight: 473.61148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O3S2/c1-5-16(18(28)24-19-17(20(29)30-4)13(2)14(3)32-19)27-21(23)25-26-22(27)31-12-11-15-9-7-6-8-10-15/h6-10,16H,5,11-12H2,1-4H3,(H2,23,25)(H,24,28)