2-[(2-nitrophenyl)carbothioylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2-nitrophenyl)carbothioylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(2-nitrobenzenecarbothioyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2-nitrophenyl)-sulfanylidenemethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2-nitrobenzenecarbothioyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2-nitrothiobenzoyl)amino]-3-phenyl-propionic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=S)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=S)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c19-16(20)13(10-11-6-2-1-3-7-11)17-15(23)12-8-4-5-9-14(12)18(21)22/h1-9,13H,10H2,(H,17,23)(H,19,20)