4-[2-[4-(5-ethylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[4-(5-ethylthiophen-2-yl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[4-(5-ethyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[4-(5-ethyl-2-thiophenyl)-2,2-dimethyl-1-benzothiopyran-6-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[4-(5-ethylthiophen-2-yl)-2,2-dimethylthiochromen-6-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[4-(5-ethyl-2-thienyl)-2,2-dimethyl-thiochromen-6-yl]ethynyl]benzoic acid Formula: C26H22O2S2 MolecularWeight: 430.58168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CCC1=CC=C(S1)C2=CC(SC3=C2C=C(C=C3)C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C26H22O2S2/c1-4-20-12-14-23(29-20)22-16-26(2,3)30-24-13-9-18(15-21(22)24)6-5-17-7-10-19(11-8-17)25(27)28/h7-16H,4H2,1-3H3,(H,27,28)