3-(3-chloranyl-4-morpholin-4-ylcarbonyloxy-phenyl)-2-[thiophen-2-ylmethyl(thiophen-3-ylmethyl)amino]propanoic acid

Systemtic Name: 3-(3-chloranyl-4-morpholin-4-ylcarbonyloxy-phenyl)-2-[thiophen-2-ylmethyl(thiophen-3-ylmethyl)amino]propanoic acid Openeye Name: 3-[3-chloro-4-(morpholine-4-carbonyloxy)phenyl]-2-[2-thienylmethyl(3-thienylmethyl)amino]propanoic acid CAS Name: 3-[3-chloro-4-[4-morpholinyl(oxo)methoxy]phenyl]-2-[thiophen-2-ylmethyl(3-thiophenylmethyl)amino]propanoic acid IUPAC Name: 3-[3-chloro-4-(morpholine-4-carbonyloxy)phenyl]-2-[thiophen-2-ylmethyl(thiophen-3-ylmethyl)amino]propanoic acid Traditional Name: 3-[3-chloro-4-(morpholine-4-carbonyloxy)phenyl]-2-[2-thenyl(3-thenyl)amino]propionic acid Formula: C24H25ClN2O5S2 MolecularWeight: 521.0487

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)OC2=C(C=C(C=C2)CC(C(=O)O)N(CC3=CSC=C3)CC4=CC=CS4)Cl

Isomeric SMILES

C1COCCN1C(=O)OC2=C(C=C(C=C2)CC(C(=O)O)N(CC3=CSC=C3)CC4=CC=CS4)Cl

InChI

InChI=1S/C24H25ClN2O5S2/c25-20-12-17(3-4-22(20)32-24(30)26-6-8-31-9-7-26)13-21(23(28)29)27(14-18-5-11-33-16-18)15-19-2-1-10-34-19/h1-5,10-12,16,21H,6-9,13-15H2,(H,28,29)