7-bromanyl-3-methyl-4-oxidanylidene-5-propan-2-yl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid

Systemtic Name: 7-bromanyl-3-methyl-4-oxidanylidene-5-propan-2-yl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Openeye Name: 7-bromo-5-isopropyl-3-methyl-4-oxo-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid CAS Name: 7-bromo-3-methyl-4-oxo-5-propan-2-yl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid IUPAC Name: 7-bromo-3-methyl-4-oxo-5-propan-2-yl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Traditional Name: 7-bromo-5-isopropyl-4-keto-3-methyl-5H-thiochromeno[4,3-b]pyran-2-carboxylic acid Formula: C17H15BrO4S MolecularWeight: 395.2676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C(SC3=C2C=CC=C3Br)C(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C(C1=O)C(SC3=C2C=CC=C3Br)C(C)C)C(=O)O

InChI

InChI=1S/C17H15BrO4S/c1-7(2)15-11-12(19)8(3)13(17(20)21)22-14(11)9-5-4-6-10(18)16(9)23-15/h4-7,15H,1-3H3,(H,20,21)