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

Systemtic Name: methyl 2-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC

InChI

InChI=1S/C18H21N3O4S2/c1-3-5-10-8-13(22)21-18(19-10)26-9-14(23)20-16-15(17(24)25-2)11-6-4-7-12(11)27-16/h8H,3-7,9H2,1-2H3,(H,20,23)(H,19,21,22)