phenyl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate

Systemtic Name: phenyl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Openeye Name: phenyl 4-(4,4-diethylthiochroman-6-yl)but-3-ynoate CAS Name: 4-(4,4-diethyl-2,3-dihydro-1-benzothiopyran-6-yl)-3-butynoic acid phenyl ester IUPAC Name: phenyl 4-(4,4-diethyl-2,3-dihydrothiochromen-6-yl)but-3-ynoate Traditional Name: 4-(4,4-diethylthiochroman-6-yl)but-3-ynoic acid phenyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=C1C=C(C=C2)C#CCC(=O)OC3=CC=CC=C3)CC

Isomeric SMILES

CCC1(CCSC2=C1C=C(C=C2)C#CCC(=O)OC3=CC=CC=C3)CC

InChI

InChI=1S/C23H24O2S/c1-3-23(4-2)15-16-26-21-14-13-18(17-20(21)23)9-8-12-22(24)25-19-10-6-5-7-11-19/h5-7,10-11,13-14,17H,3-4,12,15-16H2,1-2H3