methyl 2-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]carbamoylamino]benzoate

Systemtic Name: methyl 2-[[[3,6-bis(chloranyl)-1-benzothiophen-2-yl]carbonylamino]carbamoylamino]benzoate Openeye Name: methyl 2-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]carbamoylamino]benzoate CAS Name: 2-[[[[(3,6-dichloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]carbamoylamino]benzoate Traditional Name: 2-[[(3,6-dichlorobenzothiophene-2-carbonyl)amino]carbamoylamino]benzoic acid methyl ester Formula: C18H13Cl2N3O4S MolecularWeight: 438.28452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)NNC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O4S/c1-27-17(25)10-4-2-3-5-12(10)21-18(26)23-22-16(24)15-14(20)11-7-6-9(19)8-13(11)28-15/h2-8H,1H3,(H,22,24)(H2,21,23,26)