N,N-dimethylmethanamide; 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid

Systemtic Name: N,N-dimethylmethanamide; 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid Openeye Name: N,N-dimethylformamide; 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid CAS Name: N,N-dimethylformamide; 5-phenyl-2-[(phenylthio)methyl]pentanoic acid IUPAC Name: N,N-dimethylformamide; 5-phenyl-2-(phenylsulfanylmethyl)pentanoic acid Traditional Name: N,N-dimethylformamide; 5-phenyl-2-[(phenylthio)methyl]valeric acid Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=O.C1=CC=C(C=C1)CCCC(CSC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN(C)C=O.C1=CC=C(C=C1)CCCC(CSC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H20O2S.C3H7NO/c19-18(20)16(14-21-17-12-5-2-6-13-17)11-7-10-15-8-3-1-4-9-15;1-4(2)3-5/h1-6,8-9,12-13,16H,7,10-11,14H2,(H,19,20);3H,1-2H3