ethyl 2-[3-[[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=CC=C4OC

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NNC(=N3)C4=CC=CC=C4OC

InChI

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