8-methyl-5-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylic acid

Systemtic Name: 8-methyl-5-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylic acid Openeye Name: 5-isopentyloxy-8-methyl-4-oxo-thiochromene-2-carboxylic acid CAS Name: 8-methyl-5-(3-methylbutoxy)-4-oxo-1-benzothiopyran-2-carboxylic acid IUPAC Name: 8-methyl-5-(3-methylbutoxy)-4-oxothiochromene-2-carboxylic acid Traditional Name: 5-isoamoxy-4-keto-8-methyl-thiochromene-2-carboxylic acid Formula: C16H18O4S MolecularWeight: 306.37672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(S2)C(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(S2)C(=O)O

InChI

InChI=1S/C16H18O4S/c1-9(2)6-7-20-12-5-4-10(3)15-14(12)11(17)8-13(21-15)16(18)19/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)