methyl 3-methyl-4-oxidanylidene-2H-thiochromene-3-carboxylate

Systemtic Name: methyl 3-methyl-4-oxidanylidene-2H-thiochromene-3-carboxylate Openeye Name: methyl 3-methyl-4-oxo-thiochromane-3-carboxylate CAS Name: 3-methyl-4-oxo-2H-1-benzothiopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-4-oxo-2H-thiochromene-3-carboxylate Traditional Name: 4-keto-3-methyl-thiochroman-3-carboxylic acid methyl ester Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2=CC=CC=C2C1=O)C(=O)OC

Isomeric SMILES

CC1(CSC2=CC=CC=C2C1=O)C(=O)OC

InChI

InChI=1S/C12H12O3S/c1-12(11(14)15-2)7-16-9-6-4-3-5-8(9)10(12)13/h3-6H,7H2,1-2H3