methyl 3-[2-[2-[(3-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-[(3-methylphenyl)carbonylamino]phenyl]sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[[2-[[(3-methylphenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[(3-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[[2-(m-toluoylamino)phenyl]thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=CC=C2SCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C22H20N2O4S2/c1-14-6-5-7-15(12-14)21(26)24-16-8-3-4-9-18(16)30-13-19(25)23-17-10-11-29-20(17)22(27)28-2/h3-12H,13H2,1-2H3,(H,23,25)(H,24,26)