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

Systemtic Name: ethyl 5-aminocarbonyl-4-methyl-2-[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[[4-prop-2-enyl-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-4-methyl-2-[[2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-allyl-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N6O4S2 MolecularWeight: 486.56718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3

InChI

InChI=1S/C21H22N6O4S2/c1-4-10-27-18(13-8-6-7-9-23-13)25-26-21(27)32-11-14(28)24-19-15(20(30)31-5-2)12(3)16(33-19)17(22)29/h4,6-9H,1,5,10-11H2,2-3H3,(H2,22,29)(H,24,28)