2-dimethylaminoethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 3-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]benzoate Openeye Name: 2-dimethylaminoethyl 3-[(2-benzyl-3-sulfanyl-propanoyl)amino]benzoate CAS Name: 3-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate Traditional Name: 3-[(2-benzyl-3-mercapto-propanoyl)amino]benzoic acid 2-dimethylaminoethyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

Isomeric SMILES

CN(C)CCOC(=O)C1=CC(=CC=C1)NC(=O)C(CC2=CC=CC=C2)CS

InChI

InChI=1S/C21H26N2O3S/c1-23(2)11-12-26-21(25)17-9-6-10-19(14-17)22-20(24)18(15-27)13-16-7-4-3-5-8-16/h3-10,14,18,27H,11-13,15H2,1-2H3,(H,22,24)