ethyl 3-[(5-methylsulfanylthiophen-2-yl)carbonyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[(5-methylsulfanylthiophen-2-yl)carbonyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[(5-methylsulfanylthiophene-2-carbonyl)-methylsulfonyl-amino]benzoate CAS Name: 3-[methylsulfonyl-[[5-(methylthio)-2-thiophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(5-methylsulfanylthiophene-2-carbonyl)-methylsulfonylamino]benzoate Traditional Name: 3-[mesyl-[5-(methylthio)thiophene-2-carbonyl]amino]benzoic acid ethyl ester Formula: C16H17NO5S3 MolecularWeight: 399.50488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(S2)SC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)C2=CC=C(S2)SC)S(=O)(=O)C

InChI

InChI=1S/C16H17NO5S3/c1-4-22-16(19)11-6-5-7-12(10-11)17(25(3,20)21)15(18)13-8-9-14(23-2)24-13/h5-10H,4H2,1-3H3