tert-butyl 7-bromanyl-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate

Systemtic Name: tert-butyl 7-bromanyl-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Openeye Name: tert-butyl 7-bromo-6-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate CAS Name: 7-bromo-6-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-bromo-6-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole-3-carboxylate Traditional Name: 7-bromo-6-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-1,2,4,5-tetrahydroazepin[4,5-b]indole-3-carboxylic acid tert-butyl ester Formula: C23H27BrN4O3S MolecularWeight: 519.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C4=C2C(=CC=C4)Br

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN2C3=C(CCN(CC3)C(=O)OC(C)(C)C)C4=C2C(=CC=C4)Br

InChI

InChI=1S/C23H27BrN4O3S/c1-14-13-32-21(25-14)26-19(29)12-28-18-9-11-27(22(30)31-23(2,3)4)10-8-15(18)16-6-5-7-17(24)20(16)28/h5-7,13H,8-12H2,1-4H3,(H,25,26,29)