4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5,5-dimethyl-4,6-dihydro-1H-pyrimidin-2-yl)thio]methyl]-7-ethyl-coumarin Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NCC(CN3)(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NCC(CN3)(C)C

InChI

InChI=1S/C18H22N2O2S/c1-4-12-5-6-14-13(8-16(21)22-15(14)7-12)9-23-17-19-10-18(2,3)11-20-17/h5-8H,4,9-11H2,1-3H3,(H,19,20)