ethyl 4-[2-[2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[2,2-dimethyl-4-(5-methyl-2-thiophenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2,2-dimethyl-4-(5-methylthiophen-2-yl)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[2,2-dimethyl-4-(5-methyl-2-thienyl)thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C27H24O2S2 MolecularWeight: 444.60826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(S4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)SC(C=C3C4=CC=C(S4)C)(C)C

InChI

InChI=1S/C27H24O2S2/c1-5-29-26(28)21-12-9-19(10-13-21)7-8-20-11-15-25-22(16-20)23(17-27(3,4)31-25)24-14-6-18(2)30-24/h6,9-17H,5H2,1-4H3