methyl 3-chloranyl-6-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(5-methylisoxazol-3-yl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(5-methyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(5-methyl-1,2-oxazol-3-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(5-methylisoxazol-3-yl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C15H12ClN3O3S2 MolecularWeight: 381.85708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=NO1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C15H12ClN3O3S2/c1-7-5-11(19-22-7)18-15(23)17-8-3-4-9-10(6-8)24-13(12(9)16)14(20)21-2/h3-6H,1-2H3,(H2,17,18,19,23)