methyl 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(2,2-dimethyl-3,4-dihydrochromen-6-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(2,2-dimethylchroman-6-yl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)OC)C

Isomeric SMILES

CC1(CCC2=C(O1)C=CC(=C2)C3=NC(=NC=C3)SCC(=O)OC)C

InChI

InChI=1S/C18H20N2O3S/c1-18(2)8-6-13-10-12(4-5-15(13)23-18)14-7-9-19-17(20-14)24-11-16(21)22-3/h4-5,7,9-10H,6,8,11H2,1-3H3