5-(4-butylphenyl)carbothioyl-6-chloranyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-butylphenyl)carbothioyl-6-chloranyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-butylbenzenecarbothioyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-butylphenyl)-sulfanylidenemethyl]-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-butylbenzenecarbothioyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 5-(4-butylthiobenzoyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C19H20ClNO2S MolecularWeight: 361.8856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=S)C2=C(C=C3N2CCC3C(=O)O)Cl

InChI

InChI=1S/C19H20ClNO2S/c1-2-3-4-12-5-7-13(8-6-12)18(24)17-15(20)11-16-14(19(22)23)9-10-21(16)17/h5-8,11,14H,2-4,9-10H2,1H3,(H,22,23)