2-(7-methoxy-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate

Systemtic Name: 2-(7-methoxy-2,2-dimethyl-4-oxidanylidene-3H-thiochromen-6-yl)ethynyl benzoate Openeye Name: 2-(7-methoxy-2,2-dimethyl-4-oxo-thiochroman-6-yl)ethynyl benzoate CAS Name: benzoic acid 2-(7-methoxy-2,2-dimethyl-4-oxo-3H-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(7-methoxy-2,2-dimethyl-4-oxo-3H-thiochromen-6-yl)ethynyl benzoate Traditional Name: benzoic acid 2-(4-keto-7-methoxy-2,2-dimethyl-thiochroman-6-yl)ethynyl ester Formula: C21H18O4S MolecularWeight: 366.43022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#COC(=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CC1(CC(=O)C2=C(S1)C=C(C(=C2)C#COC(=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C21H18O4S/c1-21(2)13-17(22)16-11-15(18(24-3)12-19(16)26-21)9-10-25-20(23)14-7-5-4-6-8-14/h4-8,11-12H,13H2,1-3H3