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

Systemtic Name: methyl 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(5-tert-butylisoxazol-3-yl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[(5-tert-butyl-3-isoxazolyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(5-tert-butyl-1,2-oxazol-3-yl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(5-tert-butylisoxazol-3-yl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C18H18ClN3O3S2 MolecularWeight: 423.93682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H18ClN3O3S2/c1-18(2,3)12-8-13(22-25-12)21-17(26)20-9-5-6-10-11(7-9)27-15(14(10)19)16(23)24-4/h5-8H,1-4H3,(H2,20,21,22,26)