ethyl 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: ethyl 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: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-2-28-18(26)13-25-16-6-4-3-5-14(16)7-8-17(20(25)27)30-21-24-23-19(29-21)15-9-11-22-12-10-15/h3-6,9-12,17H,2,7-8,13H2,1H3