methyl 4-(4-methoxy-4-oxidanylidene-butan-2-yl)sulfanyl-3-methyl-1-oxidanyl-naphthalene-2-carboxylate

Systemtic Name: methyl 4-(4-methoxy-4-oxidanylidene-butan-2-yl)sulfanyl-3-methyl-1-oxidanyl-naphthalene-2-carboxylate Openeye Name: methyl 1-hydroxy-4-(3-methoxy-1-methyl-3-oxo-propyl)sulfanyl-3-methyl-naphthalene-2-carboxylate CAS Name: 1-hydroxy-4-[(4-methoxy-4-oxobutan-2-yl)thio]-3-methyl-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 1-hydroxy-4-(4-methoxy-4-oxobutan-2-yl)sulfanyl-3-methylnaphthalene-2-carboxylate Traditional Name: 1-hydroxy-4-[(3-keto-3-methoxy-1-methyl-propyl)thio]-3-methyl-naphthalene-2-carboxylic acid methyl ester Formula: C18H20O5S MolecularWeight: 348.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C(=C1C(=O)OC)O)SC(C)CC(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2C(=C1C(=O)OC)O)SC(C)CC(=O)OC

InChI

InChI=1S/C18H20O5S/c1-10(9-14(19)22-3)24-17-11(2)15(18(21)23-4)16(20)12-7-5-6-8-13(12)17/h5-8,10,20H,9H2,1-4H3