methyl 6-chloranyl-3-oxidanylidene-2-(phenylmethylsulfanyl)-1H-indene-2-carboxylate

Systemtic Name: methyl 6-chloranyl-3-oxidanylidene-2-(phenylmethylsulfanyl)-1H-indene-2-carboxylate Openeye Name: methyl 2-benzylsulfanyl-5-chloro-1-oxo-indane-2-carboxylate CAS Name: 6-chloro-3-oxo-2-(phenylmethylthio)-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-6-chloro-3-oxo-1H-indene-2-carboxylate Traditional Name: 2-(benzylthio)-5-chloro-1-keto-indane-2-carboxylic acid methyl ester Formula: C18H15ClO3S MolecularWeight: 346.8279

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(C1=O)C=CC(=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CC2=C(C1=O)C=CC(=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C18H15ClO3S/c1-22-17(21)18(23-11-12-5-3-2-4-6-12)10-13-9-14(19)7-8-15(13)16(18)20/h2-9H,10-11H2,1H3