5-[(E)-N-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(E)-N-[(3-chloranyl-6-methoxy-1-benzothiophen-2-yl)carbonylamino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid Openeye Name: 5-[(E)-N-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]-C-methyl-carbonimidoyl]thiophene-2-carboxylic acid CAS Name: 5-[(1E)-1-[[(3-chloro-6-methoxy-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]ethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(E)-N-[(3-chloro-6-methoxy-1-benzothiophene-2-carbonyl)amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid Traditional Name: 5-[(E)-N-[(3-chloro-6-methoxy-benzothiophene-2-carbonyl)amino]-C-methyl-carbonimidoyl]-2-thenoic acid Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl)C3=CC=C(S3)C(=O)O

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl)/C3=CC=C(S3)C(=O)O

InChI

InChI=1S/C17H13ClN2O4S2/c1-8(11-5-6-12(25-11)17(22)23)19-20-16(21)15-14(18)10-4-3-9(24-2)7-13(10)26-15/h3-7H,1-2H3,(H,20,21)(H,22,23)/b19-8+