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

Systemtic Name: methyl 6-bromanyl-5-(4-methylphenyl)carbothioyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 6-bromo-5-(4-methylbenzenecarbothioyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 6-bromo-5-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 6-bromo-5-(4-methylbenzenecarbothioyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-bromo-5-(4-methylthiobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C17H16BrNO2S MolecularWeight: 378.28344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C(C=C3N2CCC3C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C(C=C3N2CCC3C(=O)OC)Br

InChI

InChI=1S/C17H16BrNO2S/c1-10-3-5-11(6-4-10)16(22)15-13(18)9-14-12(17(20)21-2)7-8-19(14)15/h3-6,9,12H,7-8H2,1-2H3