ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-[(4-methyl-1-piperazinyl)methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-methyl-6-[(4-methylpiperazin-1-yl)methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-4-keto-8-methyl-6-[(4-methylpiperazino)methyl]chromene-2-carboxylic acid ethyl ester Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCN(CC3)C)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=CC(=C(C(=C2O1)C)O)CN3CCN(CC3)C)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H27N3O5S/c1-4-33-26(32)24-20(25-27-18-7-5-6-8-19(18)35-25)22(31)17-13-16(21(30)15(2)23(17)34-24)14-29-11-9-28(3)10-12-29/h5-8,13,30H,4,9-12,14H2,1-3H3