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

Systemtic Name: ethyl 5-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl]amino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylamino]benzothiophene-2-carboxylate CAS Name: 5-[[1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[1-[(5-methylisoxazol-3-yl)carbamoyl]propylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)NC2=CC3=C(C=C2)SC(=C3)C(=O)OCC

InChI

InChI=1S/C19H21N3O4S/c1-4-14(18(23)21-17-8-11(3)26-22-17)20-13-6-7-15-12(9-13)10-16(27-15)19(24)25-5-2/h6-10,14,20H,4-5H2,1-3H3,(H,21,22,23)