[2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

Systemtic Name: [2-[(3-azanyl-3-oxidanylidene-propyl)-phenyl-amino]-2-oxidanylidene-ethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Openeye Name: [2-(N-(3-amino-3-oxo-propyl)anilino)-2-oxo-ethyl] 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] ester IUPAC Name: [2-(N-(3-amino-3-oxopropyl)anilino)-2-oxoethyl] 3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-(2-thienyl)isoxazolo[5,4-b]pyridine-4-carboxylic acid [2-(N-(3-amino-3-keto-propyl)anilino)-2-keto-ethyl] ester Formula: C23H20N4O5S MolecularWeight: 464.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N(CCC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC2=C1C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)N(CCC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O5S/c1-14-21-16(12-17(18-8-5-11-33-18)25-22(21)32-26-14)23(30)31-13-20(29)27(10-9-19(24)28)15-6-3-2-4-7-15/h2-8,11-12H,9-10,13H2,1H3,(H2,24,28)