2-azanyl-2-[4-(1,3-benzothiazol-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-(1,3-benzothiazol-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-(1,3-benzothiazol-2-yloxymethyl)-2-(o-tolyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-(1,3-benzothiazol-2-yloxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-(1,3-benzothiazol-2-yloxymethyl)-2-(2-methylphenyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-(1,3-benzothiazol-2-yloxymethyl)-2-(o-tolyl)benzoyl]-4-(methylthio)butyric acid Formula: C27H26N2O4S2 MolecularWeight: 506.63634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=NC4=CC=CC=C4S3)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC3=NC4=CC=CC=C4S3)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C27H26N2O4S2/c1-17-7-3-4-8-19(17)21-15-18(16-33-26-29-22-9-5-6-10-23(22)35-26)11-12-20(21)24(30)27(28,25(31)32)13-14-34-2/h3-12,15H,13-14,16,28H2,1-2H3,(H,31,32)