tert-butyl 2-[(3S)-7-bromanyl-1-ethyl-5-(3-methoxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S)-7-bromanyl-1-ethyl-5-(3-methoxyphenyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]ethanoate Openeye Name: tert-butyl 2-[(3S)-7-bromo-1-ethyl-5-(3-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate CAS Name: 2-[(3S)-7-bromo-1-ethyl-5-(3-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S)-7-bromo-1-ethyl-5-(3-methoxyphenyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]acetate Traditional Name: 2-[(3S)-7-bromo-1-ethyl-2-keto-5-(3-methoxyphenyl)-3H-1,4-benzodiazepin-3-yl]acetic acid tert-butyl ester Formula: C24H27BrN2O4 MolecularWeight: 487.38618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)Br)C(=NC(C1=O)CC(=O)OC(C)(C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)Br)C(=N[C@H](C1=O)CC(=O)OC(C)(C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H27BrN2O4/c1-6-27-20-11-10-16(25)13-18(20)22(15-8-7-9-17(12-15)30-5)26-19(23(27)29)14-21(28)31-24(2,3)4/h7-13,19H,6,14H2,1-5H3/t19-/m0/s1