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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-hydroxyethyl)amino]methyl]-6-ethyl-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C26H28N2O7S MolecularWeight: 512.57472

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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)CN(CCO)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O7S/c1-3-15-13-16-22(32)20(25-27-18-7-5-6-8-19(18)36-25)24(26(33)34-4-2)35-23(16)17(21(15)31)14-28(9-11-29)10-12-30/h5-8,13,29-31H,3-4,9-12,14H2,1-2H3