5-(4-ethoxyphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-ethoxyphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-ethoxybenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-ethoxyphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-ethoxybenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-ethoxybenzoyl)-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)SC

InChI

InChI=1S/C18H19NO4S/c1-3-23-12-6-4-11(5-7-12)17(20)16-15(24-2)10-14-13(18(21)22)8-9-19(14)16/h4-7,10,13H,3,8-9H2,1-2H3,(H,21,22)