ethyl 3-methyl-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=CC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C17H21N3O4S2/c1-4-6-11-8-12(21)20-17(18-11)25-9-13(22)19-14-7-10(3)15(26-14)16(23)24-5-2/h7-8H,4-6,9H2,1-3H3,(H,19,22)(H,18,20,21)