methyl (3aS,4R,7aS)-1-oxidanylidene-4-phenylsulfanyl-7,7a-dihydro-4H-indene-3a-carboxylate

Systemtic Name: methyl (3aS,4R,7aS)-1-oxidanylidene-4-phenylsulfanyl-7,7a-dihydro-4H-indene-3a-carboxylate Openeye Name: methyl (3aS,4R,7aS)-1-oxo-4-phenylsulfanyl-7,7a-dihydro-4H-indene-3a-carboxylate CAS Name: (3aS,4R,7aS)-1-oxo-4-(phenylthio)-7,7a-dihydro-4H-indene-3a-carboxylic acid methyl ester IUPAC Name: methyl (3aS,4R,7aS)-1-oxo-4-phenylsulfanyl-7,7a-dihydro-4H-indene-3a-carboxylate Traditional Name: (3aS,4R,7aS)-1-keto-4-(phenylthio)-7,7a-dihydro-4H-indene-3a-carboxylic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12C=CC(=O)C1CC=CC2SC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@]12C=CC(=O)[C@H]1CC=C[C@H]2SC3=CC=CC=C3

InChI

InChI=1S/C17H16O3S/c1-20-16(19)17-11-10-14(18)13(17)8-5-9-15(17)21-12-6-3-2-4-7-12/h2-7,9-11,13,15H,8H2,1H3/t13-,15-,17-/m1/s1