3-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(furan-2-ylcarbonylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[2-furanyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(furan-2-carbonylamino)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(2-furoylamino)phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H18N2O5S/c1-13-7-8-14(21(26)27)10-17(13)23-19(24)12-29-16-5-2-4-15(11-16)22-20(25)18-6-3-9-28-18/h2-11H,12H2,1H3,(H,22,25)(H,23,24)(H,26,27)