ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoate CAS Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)-1-benzothiopyran-6-yl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[7-methoxy-2,2-dimethyl-4-(4-methylphenyl)thiochromen-6-yl]ethynyl]benzoate Traditional Name: 4-[2-[7-methoxy-2,2-dimethyl-4-(p-tolyl)thiochromen-6-yl]ethynyl]benzoic acid ethyl ester Formula: C30H28O3S MolecularWeight: 468.60652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2OC)SC(C=C3C4=CC=C(C=C4)C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2OC)SC(C=C3C4=CC=C(C=C4)C)(C)C

InChI

InChI=1S/C30H28O3S/c1-6-33-29(31)23-14-9-21(10-15-23)11-16-24-17-25-26(22-12-7-20(2)8-13-22)19-30(3,4)34-28(25)18-27(24)32-5/h7-10,12-15,17-19H,6H2,1-5H3