(Z)-but-2-enedioic acid; 2-dimethylaminoethyl 4-phenyl-4-phenylsulfanyl-butanoate

Systemtic Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl 4-phenyl-4-phenylsulfanyl-butanoate Openeye Name: 2-dimethylaminoethyl 4-phenyl-4-phenylsulfanyl-butanoate; maleic acid CAS Name: (Z)-2-butenedioic acid; 4-phenyl-4-(phenylthio)butanoic acid 2-dimethylaminoethyl ester IUPAC Name: (Z)-but-2-enedioic acid; 2-dimethylaminoethyl 4-phenyl-4-phenylsulfanylbutanoate Traditional Name: maleic acid; 4-phenyl-4-(phenylthio)butyric acid 2-dimethylaminoethyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)CCC(C1=CC=CC=C1)SC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CCOC(=O)CCC(C1=CC=CC=C1)SC2=CC=CC=C2.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO2S.C4H4O4/c1-21(2)15-16-23-20(22)14-13-19(17-9-5-3-6-10-17)24-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h3-12,19H,13-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-