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

Systemtic Name: methyl 4-ethyl-2-[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O3S3 MolecularWeight: 450.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NN=C(N2CC)C3=CC=CS3)C

InChI

InChI=1S/C19H22N4O3S3/c1-5-12-11(3)29-17(15(12)18(25)26-4)20-14(24)10-28-19-22-21-16(23(19)6-2)13-8-7-9-27-13/h7-9H,5-6,10H2,1-4H3,(H,20,24)