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

Systemtic Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-7-hydroxy-4-oxo-chromene-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-8-[[bis(2-methylpropyl)amino]methyl]-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]-7-hydroxy-4-oxochromene-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)-8-[(diisobutylamino)methyl]-7-hydroxy-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)O)CN(CC(C)C)CC(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C28H32N2O5S/c1-6-34-28(33)26-23(27-29-20-9-7-8-10-22(20)36-27)24(32)18-11-12-21(31)19(25(18)35-26)15-30(13-16(2)3)14-17(4)5/h7-12,16-17,31H,6,13-15H2,1-5H3