ethyl 6-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylate

Systemtic Name: ethyl 6-(3-methylbutoxy)-4-oxidanylidene-thiochromene-2-carboxylate Openeye Name: ethyl 6-isopentyloxy-4-oxo-thiochromene-2-carboxylate CAS Name: 6-(3-methylbutoxy)-4-oxo-1-benzothiopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-methylbutoxy)-4-oxothiochromene-2-carboxylate Traditional Name: 6-isoamoxy-4-keto-thiochromene-2-carboxylic acid ethyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(S1)C=CC(=C2)OCCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(S1)C=CC(=C2)OCCC(C)C

InChI

InChI=1S/C17H20O4S/c1-4-20-17(19)16-10-14(18)13-9-12(5-6-15(13)22-16)21-8-7-11(2)3/h5-6,9-11H,4,7-8H2,1-3H3