[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C24H22N2O6S MolecularWeight: 466.50628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O6S/c1-2-30-24(29)25-16-10-11-17-15(12-23(28)32-19(17)13-16)14-31-22(27)9-5-8-21-26-18-6-3-4-7-20(18)33-21/h3-4,6-7,10-13H,2,5,8-9,14H2,1H3,(H,25,29)