phenyl 4-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)but-3-ynoate

Systemtic Name: phenyl 4-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)but-3-ynoate Openeye Name: phenyl 4-(2,2,4,4-tetramethylthiochroman-6-yl)but-3-ynoate CAS Name: 4-(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)-3-butynoic acid phenyl ester IUPAC Name: phenyl 4-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)but-3-ynoate Traditional Name: 4-(2,2,4,4-tetramethylthiochroman-6-yl)but-3-ynoic acid phenyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)C#CCC(=O)OC3=CC=CC=C3)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)C#CCC(=O)OC3=CC=CC=C3)(C)C)C

InChI

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