tert-butyl 2-[2-oxidanylidene-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-oxidanylidene-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: tert-butyl 2-[2-oxo-3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[2-oxo-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-oxo-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid tert-butyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NN=C(O3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NN=C(O3)C4=CC=NC=C4

InChI

InChI=1S/C23H24N4O4S/c1-23(2,3)31-19(28)14-27-17-7-5-4-6-15(17)8-9-18(21(27)29)32-22-26-25-20(30-22)16-10-12-24-13-11-16/h4-7,10-13,18H,8-9,14H2,1-3H3