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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-methyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-methyl-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8-methyl-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8-methyl-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-6-[[4-(2-hydroxyethyl)piperazino]methyl]-4-keto-8-methyl-chromene-2-carboxylic acid ethyl ester Formula: C27H29N3O6S MolecularWeight: 523.60066

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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)CCO)C4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O6S/c1-3-35-27(34)25-21(26-28-19-6-4-5-7-20(19)37-26)23(33)18-14-17(22(32)16(2)24(18)36-25)15-30-10-8-29(9-11-30)12-13-31/h4-7,14,31-32H,3,8-13,15H2,1-2H3