methyl 3-chloranyl-6-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H14ClN3O4S2 MolecularWeight: 423.89376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C17H14ClN3O4S2/c1-8-10(5-6-25-8)15(22)20-21-17(26)19-9-3-4-11-12(7-9)27-14(13(11)18)16(23)24-2/h3-7H,1-2H3,(H,20,22)(H2,19,21,26)