2-[(2-chlorophenyl)carbonylamino]-3-(4-morpholin-4-ylcarbothioyloxyphenyl)propanoic acid

Systemtic Name: 2-[(2-chlorophenyl)carbonylamino]-3-(4-morpholin-4-ylcarbothioyloxyphenyl)propanoic acid Openeye Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propanoic acid CAS Name: 2-[[(2-chlorophenyl)-oxomethyl]amino]-3-[4-[4-morpholinyl(sulfanylidene)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propanoic acid Traditional Name: 2-[(2-chlorobenzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propionic acid Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1COCCN1C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H21ClN2O5S/c22-17-4-2-1-3-16(17)19(25)23-18(20(26)27)13-14-5-7-15(8-6-14)29-21(30)24-9-11-28-12-10-24/h1-8,18H,9-13H2,(H,23,25)(H,26,27)