3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(3-bromoanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-bromoanilino)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(3-bromoanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3-bromoanilino)-2-keto-ethyl]thio]propionate Formula: C11H11BrNO3S- MolecularWeight: 317.17894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C11H12BrNO3S/c12-8-2-1-3-9(6-8)13-10(14)7-17-5-4-11(15)16/h1-3,6H,4-5,7H2,(H,13,14)(H,15,16)/p-1