ethyl 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)CCC3

InChI

InChI=1S/C17H18N2O3S/c1-2-22-16(21)12-8-6-11(7-9-12)10-23-17-18-14-5-3-4-13(14)15(20)19-17/h6-9H,2-5,10H2,1H3,(H,18,19,20)