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

Systemtic Name: 3-[2-[3-(cyclopropylcarbonylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CC3

InChI

InChI=1S/C20H20N2O4S/c1-12-5-6-14(20(25)26)9-17(12)22-18(23)11-27-16-4-2-3-15(10-16)21-19(24)13-7-8-13/h2-6,9-10,13H,7-8,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)