diethyl 5-(4-methylphenyl)carbothioyl-2,3-dihydropyrrolizine-1,1-dicarboxylate

Systemtic Name: diethyl 5-(4-methylphenyl)carbothioyl-2,3-dihydropyrrolizine-1,1-dicarboxylate Openeye Name: diethyl 5-(4-methylbenzenecarbothioyl)-2,3-dihydropyrrolizine-1,1-dicarboxylate CAS Name: 5-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydropyrrolizine-1,1-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(4-methylbenzenecarbothioyl)-2,3-dihydropyrrolizine-1,1-dicarboxylate Traditional Name: 5-(4-methylthiobenzoyl)-2,3-dihydropyrrolizine-1,1-dicarboxylic acid diethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN2C1=CC=C2C(=S)C3=CC=C(C=C3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCN2C1=CC=C2C(=S)C3=CC=C(C=C3)C)C(=O)OCC

InChI

InChI=1S/C21H23NO4S/c1-4-25-19(23)21(20(24)26-5-2)12-13-22-16(10-11-17(21)22)18(27)15-8-6-14(3)7-9-15/h6-11H,4-5,12-13H2,1-3H3