3-chloranyl-1-benzothiophene-2-carboxylic acid; 3-chloranyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-1-benzothiophene-2-carboxylic acid; 3-chloranyl-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chlorobenzothiophene-2-carboxylic acid; 3-chloro-N-(4-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid; 3-chloro-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-1-benzothiophene-2-carboxylic acid; 3-chloro-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid; 3-chloro-N-(4-pyridylmethyl)benzothiophene-2-carboxamide Formula: C24H16Cl2N2O3S2 MolecularWeight: 515.43144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CC=NC=C3)Cl.C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NCC3=CC=NC=C3)Cl.C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl

InChI

InChI=1S/C15H11ClN2OS.C9H5ClO2S/c16-13-11-3-1-2-4-12(11)20-14(13)15(19)18-9-10-5-7-17-8-6-10;10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-8H,9H2,(H,18,19);1-4H,(H,11,12)