2-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoic acid

Systemtic Name: 2-[3-[(4-cyanophenyl)amino]-3-oxidanylidene-propyl]sulfanylethanoic acid Openeye Name: 2-[3-(4-cyanoanilino)-3-oxo-propyl]sulfanylacetic acid CAS Name: 2-[[3-(4-cyanoanilino)-3-oxopropyl]thio]acetic acid IUPAC Name: 2-[3-(4-cyanoanilino)-3-oxopropyl]sulfanylacetic acid Traditional Name: 2-[[3-(4-cyanoanilino)-3-keto-propyl]thio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CCSCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CCSCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c13-7-9-1-3-10(4-2-9)14-11(15)5-6-18-8-12(16)17/h1-4H,5-6,8H2,(H,14,15)(H,16,17)