2-methyl-3-[[2-(phenylmethyl)-3-thiophen-2-ylcarbonylsulfanyl-propanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-3-[[2-(phenylmethyl)-3-thiophen-2-ylcarbonylsulfanyl-propanoyl]amino]benzoic acid Openeye Name: 3-[[2-benzyl-3-(thiophene-2-carbonylsulfanyl)propanoyl]amino]-2-methyl-benzoic acid CAS Name: 2-methyl-3-[[1-oxo-2-[[[oxo(thiophen-2-yl)methyl]thio]methyl]-3-phenylpropyl]amino]benzoic acid IUPAC Name: 3-[[2-benzyl-3-(thiophene-2-carbonylsulfanyl)propanoyl]amino]-2-methylbenzoic acid Traditional Name: 3-[[2-benzyl-3-(2-thenoylthio)propanoyl]amino]-2-methyl-benzoic acid Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C23H21NO4S2/c1-15-18(22(26)27)9-5-10-19(15)24-21(25)17(13-16-7-3-2-4-8-16)14-30-23(28)20-11-6-12-29-20/h2-12,17H,13-14H2,1H3,(H,24,25)(H,26,27)