2-azanyl-3-[2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]-5-methyl-benzoic acid

Systemtic Name: 2-azanyl-3-[2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]-5-methyl-benzoic acid Openeye Name: 3-[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]-2-amino-5-methyl-benzoic acid CAS Name: 3-[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)-1-oxopropyl]-2-amino-5-methylbenzoic acid IUPAC Name: 3-[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]-2-amino-5-methylbenzoic acid Traditional Name: 3-[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)propanoyl]-2-amino-5-methyl-benzoic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)C(CC2=CC=C(C=C2)N(C)C)CSC(=O)C)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)C(CC2=CC=C(C=C2)N(C)C)CSC(=O)C)N)C(=O)O

InChI

InChI=1S/C22H26N2O4S/c1-13-9-18(20(23)19(10-13)22(27)28)21(26)16(12-29-14(2)25)11-15-5-7-17(8-6-15)24(3)4/h5-10,16H,11-12,23H2,1-4H3,(H,27,28)