methyl 6-chloranyl-5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 6-chloranyl-5-(4-methylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-chloro-5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-chloro-5-[[4-(methylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-5-(4-methylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-chloro-5-[4-(methylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C17H16ClNO3S MolecularWeight: 349.83184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)SC)Cl

Isomeric SMILES

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)SC)Cl

InChI

InChI=1S/C17H16ClNO3S/c1-22-17(21)12-7-8-19-14(12)9-13(18)15(19)16(20)10-3-5-11(23-2)6-4-10/h3-6,9,12H,7-8H2,1-2H3