4-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 4-[2-(cyclopropylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 4-[2-(cyclopropylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[2-(cyclopropylmethylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 4-[2-(cyclopropylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 4-[[2-(cyclopropylmethylamino)-2-keto-ethyl]thio]benzoate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC(=O)CSC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CC1CNC(=O)CSC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c15-12(14-7-9-1-2-9)8-18-11-5-3-10(4-6-11)13(16)17/h3-6,9H,1-2,7-8H2,(H,14,15)(H,16,17)/p-1