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

Systemtic Name: 5-(3-methylbutoxy)-4-oxidanylidene-8-propyl-thiochromene-2-carboxylic acid Openeye Name: 5-isopentyloxy-4-oxo-8-propyl-thiochromene-2-carboxylic acid CAS Name: 5-(3-methylbutoxy)-4-oxo-8-propyl-1-benzothiopyran-2-carboxylic acid IUPAC Name: 5-(3-methylbutoxy)-4-oxo-8-propylthiochromene-2-carboxylic acid Traditional Name: 5-isoamoxy-4-keto-8-propyl-thiochromene-2-carboxylic acid Formula: C18H22O4S MolecularWeight: 334.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(S2)C(=O)O

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OCCC(C)C)C(=O)C=C(S2)C(=O)O

InChI

InChI=1S/C18H22O4S/c1-4-5-12-6-7-14(22-9-8-11(2)3)16-13(19)10-15(18(20)21)23-17(12)16/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,20,21)