3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-5-chloranyl-4-methoxy-benzoic acid

Systemtic Name: 3-[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]-5-chloranyl-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-4-methoxy-benzoic acid CAS Name: 3-chloro-5-[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-chloro-5-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]-4-methoxybenzoic acid Traditional Name: 3-chloro-5-[(3,6-dichlorobenzothiophene-2-carbonyl)amino]-4-methoxy-benzoic acid Formula: C17H10Cl3NO4S MolecularWeight: 430.6896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H10Cl3NO4S/c1-25-14-10(19)4-7(17(23)24)5-11(14)21-16(22)15-13(20)9-3-2-8(18)6-12(9)26-15/h2-6H,1H3,(H,21,22)(H,23,24)