ethyl 5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CSCC3=C(ON=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)CSCC3=C(ON=C3C)C

InChI

InChI=1S/C19H20N2O4S2/c1-4-24-19(23)17-8-13-7-14(5-6-16(13)27-17)20-18(22)10-26-9-15-11(2)21-25-12(15)3/h5-8H,4,9-10H2,1-3H3,(H,20,22)