4-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(cyclopropylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(cyclopropylcarbamoylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC1NC(=O)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(15-13(19)14-9-3-4-9)7-20-10-5-1-8(2-6-10)12(17)18/h1-2,5-6,9H,3-4,7H2,(H,17,18)(H2,14,15,16,19)