ethyl 4-methyl-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazol-3-yl]carbonylamino]-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[[5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazol-3-yl]carbonylamino]-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-isoxazole-3-carbonyl]amino]-5-propanoyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[oxo-[5-(6-oxo-1-cyclohexa-2,4-dienylidene)-2H-isoxazol-3-yl]methyl]amino]-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carbonyl]amino]-5-propanoylthiophene-3-carboxylate Traditional Name: 2-[[5-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-isoxazoline-3-carbonyl]amino]-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C3C=CC=CC3=O)ON2)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=C3C=CC=CC3=O)ON2)C(=O)OCC)C

InChI

InChI=1S/C21H20N2O6S/c1-4-14(24)18-11(3)17(21(27)28-5-2)20(30-18)22-19(26)13-10-16(29-23-13)12-8-6-7-9-15(12)25/h6-10,23H,4-5H2,1-3H3,(H,22,26)