3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonylamino]-5-phenyl-2-thenoic acid Formula: C20H14ClNO4S3 MolecularWeight: 463.97746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H14ClNO4S3/c1-11-14-9-13(21)7-8-16(14)28-20(11)29(25,26)22-15-10-17(27-18(15)19(23)24)12-5-3-2-4-6-12/h2-10,22H,1H3,(H,23,24)