2-azanyl-3-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3-iodoanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3-iodoanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3-iodoanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3-iodoanilino)-2-keto-ethyl]thio]propionic acid Formula: C11H13IN2O3S MolecularWeight: 380.20199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)NC(=O)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)I)NC(=O)CSCC(C(=O)O)N

InChI

InChI=1S/C11H13IN2O3S/c12-7-2-1-3-8(4-7)14-10(15)6-18-5-9(13)11(16)17/h1-4,9H,5-6,13H2,(H,14,15)(H,16,17)