2-dimethylaminoethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride

Systemtic Name: 2-dimethylaminoethyl 3-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride Openeye Name: 2-dimethylaminoethyl 3-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]benzoate hydrochloride CAS Name: 3-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]benzoic acid 2-dimethylaminoethyl ester hydrochloride IUPAC Name: 2-dimethylaminoethyl 3-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]benzoate hydrochloride Traditional Name: 3-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]benzoic acid 2-dimethylaminoethyl ester hydrochloride Formula: C23H29ClN2O4S MolecularWeight: 465.00536

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCN(C)C.Cl

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C(=O)OCCN(C)C.Cl

InChI

InChI=1S/C23H28N2O4S.ClH/c1-17(26)30-16-20(14-18-8-5-4-6-9-18)22(27)24-21-11-7-10-19(15-21)23(28)29-13-12-25(2)3;/h4-11,15,20H,12-14,16H2,1-3H3,(H,24,27);1H