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

Systemtic Name: diethyl 3-methyl-5-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H24N4O5S3 MolecularWeight: 520.64476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

InChI

InChI=1S/C22H24N4O5S3/c1-5-10-26-18(14-9-8-11-32-14)24-25-22(26)33-12-15(27)23-19-16(20(28)30-6-2)13(4)17(34-19)21(29)31-7-3/h5,8-9,11H,1,6-7,10,12H2,2-4H3,(H,23,27)