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

Systemtic Name: ethyl 4-[2-[4-(5-tert-butylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(5-tert-butyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[4-(5-tert-butyl-2-thiophenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(5-tert-butylthiophen-2-yl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[4-(5-tert-butyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C30H30O2S2 MolecularWeight: 486.688

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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)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)C)(C)C

InChI

InChI=1S/C30H30O2S2/c1-7-32-28(31)22-13-10-20(11-14-22)8-9-21-12-15-26-23(18-21)24(19-30(5,6)34-26)25-16-17-27(33-25)29(2,3)4/h10-19H,7H2,1-6H3