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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C28H31N3O6S MolecularWeight: 537.62724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4S3)CN5CCN(CC5)CCO)O

InChI

InChI=1S/C28H31N3O6S/c1-3-17-15-18-24(34)22(27-29-20-7-5-6-8-21(20)38-27)26(28(35)36-4-2)37-25(18)19(23(17)33)16-31-11-9-30(10-12-31)13-14-32/h5-8,15,32-33H,3-4,9-14,16H2,1-2H3