ethyl 2-[2-(4-oxidanylidene-2-phenyl-chromen-3-yl)oxybutanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2-phenyl-chromen-3-yl)oxybutanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(4-oxo-2-phenyl-chromen-3-yl)oxybutanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-2-[(4-oxo-2-phenyl-1-benzopyran-3-yl)oxy]butyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-oxo-2-phenylchromen-3-yl)oxybutanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[2-(4-keto-2-phenyl-chromen-3-yl)oxybutanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C29H24N2O6S MolecularWeight: 528.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)OCC)OC3=C(OC4=CC=CC=C4C3=O)C5=CC=CC=C5

InChI

InChI=1S/C29H24N2O6S/c1-3-21(27(33)31-29-30-20-15-14-18(16-23(20)38-29)28(34)35-4-2)36-26-24(32)19-12-8-9-13-22(19)37-25(26)17-10-6-5-7-11-17/h5-16,21H,3-4H2,1-2H3,(H,30,31,33)