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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[1-oxo-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N5O3S2 MolecularWeight: 457.56902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=NC=C3)C

InChI

InChI=1S/C21H23N5O3S2/c1-5-11-26-18(14-7-9-22-10-8-14)24-25-21(26)30-12-16(27)23-19-17(20(28)29-4)15(6-2)13(3)31-19/h5,7-10H,1,6,11-12H2,2-4H3,(H,23,27)