2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-(4-morpholin-4-ylcarbothioyloxyphenyl)propanoic acid

Systemtic Name: 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-3-(4-morpholin-4-ylcarbothioyloxyphenyl)propanoic acid Openeye Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propanoic acid CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-3-[4-[4-morpholinyl(sulfanylidene)methoxy]phenyl]propanoic acid IUPAC Name: 2-[(2-chloro-4-nitrobenzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propanoic acid Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-3-[4-(morpholine-4-carbothioyloxy)phenyl]propionic acid Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C(=S)OC2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O7S/c22-17-12-14(25(29)30)3-6-16(17)19(26)23-18(20(27)28)11-13-1-4-15(5-2-13)32-21(33)24-7-9-31-10-8-24/h1-6,12,18H,7-11H2,(H,23,26)(H,27,28)