diethyl 3-methyl-5-[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C26H30N4O5S2 MolecularWeight: 542.6702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O5S2/c1-5-15-30-19(14-13-18-11-9-8-10-12-18)28-29-26(30)36-16-20(31)27-23-21(24(32)34-6-2)17(4)22(37-23)25(33)35-7-3/h5,8-12H,1,6-7,13-16H2,2-4H3,(H,27,31)