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

Systemtic Name: 3-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-methyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-methylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(3-chloro-1-benzothiophene-2-carbonyl)-methylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(3-chlorobenzothiophene-2-carbonyl)-methyl-amino]-5-phenyl-2-thenoic acid Formula: C21H14ClNO3S2 MolecularWeight: 427.92376

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CN(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H14ClNO3S2/c1-23(20(24)19-17(22)13-9-5-6-10-15(13)27-19)14-11-16(28-18(14)21(25)26)12-7-3-2-4-8-12/h2-11H,1H3,(H,25,26)