methyl 2-[2-[[5-[1-(2-chloranylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[[5-[1-(2-chloranylphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-allyl-5-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[1-(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[[5-[1-(2-chlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-[1-(2-chlorophenoxy)ethyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C28H27ClN4O4S2 MolecularWeight: 583.12138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C(C)OC3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)CSC2=NN=C(N2CC=C)C(C)OC3=CC=CC=C3Cl)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H27ClN4O4S2/c1-5-15-33-25(17(2)37-21-14-10-9-13-20(21)29)31-32-28(33)38-16-22(34)30-26-24(27(35)36-4)23(18(3)39-26)19-11-7-6-8-12-19/h5-14,17H,1,15-16H2,2-4H3,(H,30,34)