methyl 2-bromanyl-3-(4-methylphenyl)carbothioyl-3,5,6,7-tetrahydropyrrolizine-2-carboxylate

Systemtic Name: methyl 2-bromanyl-3-(4-methylphenyl)carbothioyl-3,5,6,7-tetrahydropyrrolizine-2-carboxylate Openeye Name: methyl 2-bromo-3-(4-methylbenzenecarbothioyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylate CAS Name: 2-bromo-3-[(4-methylphenyl)-sulfanylidenemethyl]-3,5,6,7-tetrahydropyrrolizine-2-carboxylic acid methyl ester IUPAC Name: methyl 2-bromo-3-(4-methylbenzenecarbothioyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylate Traditional Name: 2-bromo-3-(4-methylthiobenzoyl)-3,5,6,7-tetrahydropyrrolizine-2-carboxylic acid methyl ester Formula: C17H18BrNO2S MolecularWeight: 380.29932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2C(C=C3N2CCC3)(C(=O)OC)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2C(C=C3N2CCC3)(C(=O)OC)Br

InChI

InChI=1S/C17H18BrNO2S/c1-11-5-7-12(8-6-11)14(22)15-17(18,16(20)21-2)10-13-4-3-9-19(13)15/h5-8,10,15H,3-4,9H2,1-2H3