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

Systemtic Name: ethyl 2-[2-oxidanylidene-3-[[5-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[2-oxo-3-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[2-oxo-3-[[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-3-[[5-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]sulfanyl]-4,5-dihydro-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[2-keto-3-[[5-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,2-dihydro-1,2,4-triazol-3-yl]thio]-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NC(=C4C=CC(=O)C=C4)NN3

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2CCC(C1=O)SC3=NC(=C4C=CC(=O)C=C4)NN3

InChI

InChI=1S/C22H22N4O4S/c1-2-30-19(28)13-26-17-6-4-3-5-14(17)9-12-18(21(26)29)31-22-23-20(24-25-22)15-7-10-16(27)11-8-15/h3-8,10-11,18,24H,2,9,12-13H2,1H3,(H,23,25)