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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-6-ethyl-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-6-ethyl-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)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-methylpropyl)amino]methyl]-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-6-ethyl-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C30H36N2O5S MolecularWeight: 536.68224

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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(CC(C)C)CC(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5S/c1-7-19-13-20-26(34)24(29-31-22-11-9-10-12-23(22)38-29)28(30(35)36-8-2)37-27(20)21(25(19)33)16-32(14-17(3)4)15-18(5)6/h9-13,17-18,33H,7-8,14-16H2,1-6H3