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

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C23H20N2O6S MolecularWeight: 452.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H20N2O6S/c1-2-29-23(28)24-15-7-8-16-14(11-22(27)31-18(16)12-15)13-30-21(26)10-9-20-25-17-5-3-4-6-19(17)32-20/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,28)