1-[4-[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)thiophen-2-yl]sulfanylphenyl]ethanone

Systemtic Name: 1-[4-[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)thiophen-2-yl]sulfanylphenyl]ethanone Openeye Name: 1-[4-[[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)-2-thienyl]sulfanyl]phenyl]ethanone CAS Name: 1-[4-[[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)-2-thiophenyl]thio]phenyl]ethanone IUPAC Name: 1-[4-[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)thiophen-2-yl]sulfanylphenyl]ethanone Traditional Name: 1-[4-[[4-(2,2-diethyl-4-methyl-1,3-dioxan-4-yl)-2-thienyl]thio]phenyl]ethanone Formula: C21H26O3S2 MolecularWeight: 390.55934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCCC(O1)(C)C2=CSC(=C2)SC3=CC=C(C=C3)C(=O)C)CC

Isomeric SMILES

CCC1(OCCC(O1)(C)C2=CSC(=C2)SC3=CC=C(C=C3)C(=O)C)CC

InChI

InChI=1S/C21H26O3S2/c1-5-21(6-2)23-12-11-20(4,24-21)17-13-19(25-14-17)26-18-9-7-16(8-10-18)15(3)22/h7-10,13-14H,5-6,11-12H2,1-4H3