2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[3-[2-(6-chloranyl-3-ethanoyl-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-propan-2-yl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]-3-phenyl-propanoic acid CAS Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]-3-phenylpropanoic acid IUPAC Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxyphenoxy]propyl-propan-2-ylamino]-3-phenylpropanoic acid Traditional Name: 2-[3-[2-(3-acetyl-6-chloro-2H-1,3-benzothiazol-2-yl)-4-methoxy-phenoxy]propyl-isopropyl-amino]-3-phenyl-propionic acid Formula: C31H35ClN2O5S MolecularWeight: 583.138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)C(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=C(C=C3)Cl)C(=O)C)C(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C31H35ClN2O5S/c1-20(2)33(27(31(36)37)17-22-9-6-5-7-10-22)15-8-16-39-28-14-12-24(38-4)19-25(28)30-34(21(3)35)26-13-11-23(32)18-29(26)40-30/h5-7,9-14,18-20,27,30H,8,15-17H2,1-4H3,(H,36,37)