[2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-keto-2-[(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]ethyl] ester Formula: C21H17N3O7S MolecularWeight: 455.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC(=O)C3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-])OC1

InChI

InChI=1S/C21H17N3O7S/c25-19(11-31-21(26)15-12-32-20(23-15)13-5-2-1-3-6-13)22-14-9-17-18(10-16(14)24(27)28)30-8-4-7-29-17/h1-3,5-6,9-10,12H,4,7-8,11H2,(H,22,25)