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

Systemtic Name: 4-[2-(diphenylmethyl)sulfanylethanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[(2-benzhydrylsulfanylacetyl)amino]-3-methyl-benzoic acid CAS Name: 4-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[(2-benzhydrylsulfanylacetyl)amino]-3-methylbenzoic acid Traditional Name: 4-[[2-(benzhydrylthio)acetyl]amino]-3-methyl-benzoic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO3S/c1-16-14-19(23(26)27)12-13-20(16)24-21(25)15-28-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-14,22H,15H2,1H3,(H,24,25)(H,26,27)