4-(aminomethyl)-3-(2-methylphenyl)benzaldehyde; 2-methylsulfanylbutanoate

Systemtic Name: 4-(aminomethyl)-3-(2-methylphenyl)benzaldehyde; 2-methylsulfanylbutanoate Openeye Name: 4-(aminomethyl)-3-(o-tolyl)benzaldehyde; 2-methylsulfanylbutanoate CAS Name: 4-(aminomethyl)-3-(2-methylphenyl)benzaldehyde; 2-(methylthio)butanoate IUPAC Name: 4-(aminomethyl)-3-(2-methylphenyl)benzaldehyde; 2-methylsulfanylbutanoate Traditional Name: 4-(aminomethyl)-3-(o-tolyl)benzaldehyde; 2-(methylthio)butyrate Formula: C20H24NO3S- MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC.CC1=CC=CC=C1C2=C(C=CC(=C2)C=O)CN

Isomeric SMILES

CCC(C(=O)[O-])SC.CC1=CC=CC=C1C2=C(C=CC(=C2)C=O)CN

InChI

InChI=1S/C15H15NO.C5H10O2S/c1-11-4-2-3-5-14(11)15-8-12(10-17)6-7-13(15)9-16;1-3-4(8-2)5(6)7/h2-8,10H,9,16H2,1H3;4H,3H2,1-2H3,(H,6,7)/p-1