2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]propanoate

Systemtic Name: 2-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-[[4-(3-methoxy-3-oxidanylidene-propyl)phenyl]carbonylamino]propanoate Openeye Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[[4-(3-methoxy-3-oxo-propyl)benzoyl]amino]propanoate CAS Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[[[4-(3-methoxy-3-oxopropyl)phenyl]-oxomethyl]amino]propanoate IUPAC Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]propanoate Traditional Name: 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-[[4-(3-keto-3-methoxy-propyl)benzoyl]amino]propionate Formula: C21H19BrN3O5S- MolecularWeight: 505.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)[O-])NC2=NC3=C(S2)C=C(C=C3)Br

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C(=O)NCC(C(=O)[O-])NC2=NC3=C(S2)C=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3O5S/c1-30-18(26)9-4-12-2-5-13(6-3-12)19(27)23-11-16(20(28)29)25-21-24-15-8-7-14(22)10-17(15)31-21/h2-3,5-8,10,16H,4,9,11H2,1H3,(H,23,27)(H,24,25)(H,28,29)/p-1