diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-oxidanylidenechromen-3-yl)carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(2-oxochromene-3-carbonyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(2-ketochromene-3-carbonyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]ammonium Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C24H25N3O3S/c1-4-26(5-2)12-13-27(24-25-19-11-10-16(3)14-21(19)31-24)22(28)18-15-17-8-6-7-9-20(17)30-23(18)29/h6-11,14-15H,4-5,12-13H2,1-3H3/p+1