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

Systemtic Name: dimethyl 3-methyl-5-[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C24H26N4O5S2 MolecularWeight: 514.61704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H26N4O5S2/c1-5-13-28-17(12-11-16-9-7-6-8-10-16)26-27-24(28)34-14-18(29)25-21-19(22(30)32-3)15(2)20(35-21)23(31)33-4/h5-10H,1,11-14H2,2-4H3,(H,25,29)