methyl 3-(4-butylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-(4-butylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(4-butylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-butylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-butylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-butylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC

InChI

InChI=1S/C21H25NO2S/c1-3-4-6-15-8-10-16(11-9-15)20(25)19-13-12-18-17(21(23)24-2)7-5-14-22(18)19/h8-13,17H,3-7,14H2,1-2H3