methyl 3-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzoate

Systemtic Name: methyl 3-[[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]carbamoyl]benzoate Openeye Name: methyl 3-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]benzoate CAS Name: 3-[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]hydrazo]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzoate Traditional Name: 3-[[(3-chlorobenzothiophene-2-carbonyl)amino]carbamoyl]benzoic acid methyl ester Formula: C18H13ClN2O4S MolecularWeight: 388.82482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C18H13ClN2O4S/c1-25-18(24)11-6-4-5-10(9-11)16(22)20-21-17(23)15-14(19)12-7-2-3-8-13(12)26-15/h2-9H,1H3,(H,20,22)(H,21,23)