tert-butyl 4-[4-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)dibenzothiophen-1-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-morpholin-4-yl-4-oxidanylidene-chromen-8-yl)dibenzothiophen-1-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-morpholino-4-oxo-chromen-8-yl)dibenzothiophen-1-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[4-[2-(4-morpholinyl)-4-oxo-1-benzopyran-8-yl]-1-dibenzothiophenyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-morpholin-4-yl-4-oxochromen-8-yl)dibenzothiophen-1-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[4-(4-keto-2-morpholino-chromen-8-yl)dibenzothiophen-1-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C35H37N3O5S MolecularWeight: 611.75038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=C3C4=CC=CC=C4SC3=C(C=C2)C5=CC=CC6=C5OC(=CC6=O)N7CCOCC7

InChI

InChI=1S/C35H37N3O5S/c1-35(2,3)43-34(40)38-15-7-14-36(16-17-38)27-13-12-24(33-31(27)26-8-4-5-11-29(26)44-33)23-9-6-10-25-28(39)22-30(42-32(23)25)37-18-20-41-21-19-37/h4-6,8-13,22H,7,14-21H2,1-3H3