ethyl 3-[methylsulfonyl-[3-(thiophen-2-ylsulfanylmethyl)phenyl]carbonyl-amino]benzoate

Systemtic Name: ethyl 3-[methylsulfonyl-[3-(thiophen-2-ylsulfanylmethyl)phenyl]carbonyl-amino]benzoate Openeye Name: ethyl 3-[methylsulfonyl-[3-(2-thienylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 3-[methylsulfonyl-[oxo-[3-[(thiophen-2-ylthio)methyl]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[methylsulfonyl-[3-(thiophen-2-ylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 3-[mesyl-[3-[(2-thienylthio)methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C22H21NO5S3 MolecularWeight: 475.60084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC=C2)CSC3=CC=CS3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC(=CC=C2)CSC3=CC=CS3)S(=O)(=O)C

InChI

InChI=1S/C22H21NO5S3/c1-3-28-22(25)18-9-5-10-19(14-18)23(31(2,26)27)21(24)17-8-4-7-16(13-17)15-30-20-11-6-12-29-20/h4-14H,3,15H2,1-2H3