4-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2-furanylmethylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(2-furfurylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NCC1=CC=CO1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-10(14(17)16-9-12-3-2-8-20-12)21-13-6-4-11(5-7-13)15(18)19/h2-8,10H,9H2,1H3,(H,16,17)(H,18,19)