3-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenylpropanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-3-phenyl-propionic acid Formula: C29H24N2O5S3 MolecularWeight: 576.70626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(C(C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4)C(=O)O

InChI

InChI=1S/C29H24N2O5S3/c1-36-22-15-11-19(12-16-22)20-13-17-23(18-14-20)39(34,35)31-26(28(32)33)27(21-7-3-2-4-8-21)38-29-30-24-9-5-6-10-25(24)37-29/h2-18,26-27,31H,1H3,(H,32,33)