(3-oxidanylidenecyclohexen-1-yl) 5-chloranyl-4-methoxy-8-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate

Systemtic Name: (3-oxidanylidenecyclohexen-1-yl) 5-chloranyl-4-methoxy-8-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate Openeye Name: (3-oxocyclohexen-1-yl) 5-chloro-4-methoxy-8-methyl-thiochromane-6-carboxylate CAS Name: 5-chloro-4-methoxy-8-methyl-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid (3-oxo-1-cyclohexenyl) ester IUPAC Name: (3-oxocyclohexen-1-yl) 5-chloro-4-methoxy-8-methyl-3,4-dihydro-2H-thiochromene-6-carboxylate Traditional Name: 5-chloro-4-methoxy-8-methyl-thiochroman-6-carboxylic acid (3-ketocyclohexen-1-yl) ester Formula: C18H19ClO4S MolecularWeight: 366.85906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1)C(=O)OC3=CC(=O)CCC3)Cl)C(CCS2)OC

Isomeric SMILES

CC1=C2C(=C(C(=C1)C(=O)OC3=CC(=O)CCC3)Cl)C(CCS2)OC

InChI

InChI=1S/C18H19ClO4S/c1-10-8-13(18(21)23-12-5-3-4-11(20)9-12)16(19)15-14(22-2)6-7-24-17(10)15/h8-9,14H,3-7H2,1-2H3