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

Systemtic Name: (2S)-2-[[4-[(5-fluoranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-phenyl]carbonylamino]-3-oxidanyl-propanoate Openeye Name: (2S)-2-[[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonyl-benzoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-oxomethyl]amino]-3-hydroxypropanoate IUPAC Name: (2S)-2-[[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[4-[(5-fluoro-3-methyl-benzothiophen-2-yl)sulfonylamino]-3-mesyl-benzoyl]amino]-3-hydroxy-propionate Formula: C20H18FN2O8S3- MolecularWeight: 529.558923

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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)NC(CO)C(=O)[O-])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)N[C@@H](CO)C(=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C20H19FN2O8S3/c1-10-13-8-12(21)4-6-16(13)32-20(10)34(30,31)23-14-5-3-11(7-17(14)33(2,28)29)18(25)22-15(9-24)19(26)27/h3-8,15,23-24H,9H2,1-2H3,(H,22,25)(H,26,27)/p-1/t15-/m0/s1