[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3,5-bis(2-thienylsulfonylamino)benzoate CAS Name: 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3,5-bis(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 3,5-bis(2-thienylsulfonylamino)benzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C24H21N3O7S5 MolecularWeight: 623.76444

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC(=C2)NS(=O)(=O)C3=CC=CS3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H21N3O7S5/c1-35-20-7-3-2-6-19(20)25-21(28)15-34-24(29)16-12-17(26-38(30,31)22-8-4-10-36-22)14-18(13-16)27-39(32,33)23-9-5-11-37-23/h2-14,26-27H,15H2,1H3,(H,25,28)