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

Systemtic Name: methyl 5-(4-butylphenyl)carbothioyl-6-chloranyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-butylbenzenecarbothioyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-butylphenyl)-sulfanylidenemethyl]-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-butylbenzenecarbothioyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-butylthiobenzoyl)-6-chloro-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H22ClNO2S MolecularWeight: 375.91218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClNO2S/c1-3-4-5-13-6-8-14(9-7-13)19(25)18-16(21)12-17-15(20(23)24-2)10-11-22(17)18/h6-9,12,15H,3-5,10-11H2,1-2H3