4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[2-furylmethyl(methyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[2-furanylmethyl(methyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[2-furfuryl(methyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CO1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN(CC1=CC=CO1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

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