[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxidanylidene-ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-[[3-(4-methylphenyl)-5-isoxazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-keto-2-[[3-(p-tolyl)isoxazol-5-yl]amino]ethyl] ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)COC(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H16N2O4S/c1-13-6-8-14(9-7-13)16-11-20(27-23-16)22-19(24)12-26-21(25)18-10-15-4-2-3-5-17(15)28-18/h2-11H,12H2,1H3,(H,22,24)