[[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]carbonylamino] 3-oxidanylpropanoate

Systemtic Name: [[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]carbonylamino] 3-oxidanylpropanoate Openeye Name: [[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoyl]amino] 3-hydroxypropanoate CAS Name: 3-hydroxypropanoic acid [[[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-oxomethyl]amino] ester IUPAC Name: [[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoyl]amino] 3-hydroxypropanoate Traditional Name: 3-hydroxypropionic acid [[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoyl]amino] ester Formula: C20H19FN2O8S3 MolecularWeight: 530.566863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)NOC(=O)CCO)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C(=O)NOC(=O)CCO)S(=O)(=O)C

InChI

InChI=1S/C20H19FN2O8S3/c1-11-14-10-13(21)4-6-16(14)32-20(11)34(29,30)23-15-5-3-12(9-17(15)33(2,27)28)19(26)22-31-18(25)7-8-24/h3-6,9-10,23-24H,7-8H2,1-2H3,(H,22,26)