methyl 3-chloranyl-6-(1,2-oxazol-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(1,2-oxazol-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(isoxazol-3-ylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(1,2-oxazol-3-ylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(isoxazol-3-ylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C14H10ClN3O3S2 MolecularWeight: 367.8305

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NOC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=NOC=C3)Cl

InChI

InChI=1S/C14H10ClN3O3S2/c1-20-13(19)12-11(15)8-3-2-7(6-9(8)23-12)16-14(22)17-10-4-5-21-18-10/h2-6H,1H3,(H2,16,17,18,22)