3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-thiophen-2-ylcarbonylsulfanyl-propanoyl]benzoic acid

Systemtic Name: 3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-thiophen-2-ylcarbonylsulfanyl-propanoyl]benzoic acid Openeye Name: 3-amino-4-[2-benzyl-3-(thiophene-2-carbonylsulfanyl)propanoyl]-2-methyl-benzoic acid CAS Name: 3-amino-2-methyl-4-[1-oxo-2-[[[oxo(thiophen-2-yl)methyl]thio]methyl]-3-phenylpropyl]benzoic acid IUPAC Name: 3-amino-4-[2-benzyl-3-(thiophene-2-carbonylsulfanyl)propanoyl]-2-methylbenzoic acid Traditional Name: 3-amino-4-[2-benzyl-3-(2-thenoylthio)propanoyl]-2-methyl-benzoic acid Formula: C23H21NO4S2 MolecularWeight: 439.54714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CS3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CC=CS3)C(=O)O

InChI

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