(2S)-2-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioate

Systemtic Name: (2S)-2-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioate Openeye Name: (2S)-2-[2-(3,4-dichloroanilino)-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2S)-2-[[2-(3,4-dichloroanilino)-2-oxoethyl]thio]butanedioate IUPAC Name: (2S)-2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylbutanedioate Traditional Name: (2S)-2-[[2-(3,4-dichloroanilino)-2-keto-ethyl]thio]succinate Formula: C12H9Cl2NO5S-2 MolecularWeight: 350.17456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC(CC(=O)[O-])C(=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CS[C@@H](CC(=O)[O-])C(=O)[O-])Cl)Cl

InChI

InChI=1S/C12H11Cl2NO5S/c13-7-2-1-6(3-8(7)14)15-10(16)5-21-9(12(19)20)4-11(17)18/h1-3,9H,4-5H2,(H,15,16)(H,17,18)(H,19,20)/p-2/t9-/m0/s1