ethyl 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2-carboxylic acid ethyl ester Formula: C25H26N3O5S+ MolecularWeight: 480.55604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN3CC[NH+](CC3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H25N3O5S/c1-3-32-25(31)23-20(24-26-17-6-4-5-7-19(17)34-24)21(30)15-8-9-18(29)16(22(15)33-23)14-28-12-10-27(2)11-13-28/h4-9,29H,3,10-14H2,1-2H3/p+1