[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl ester IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl ester Formula: C22H18N2O7S MolecularWeight: 454.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H18N2O7S/c1-2-28-21(27)23-14-7-8-15-13(9-19(25)30-18(15)10-14)11-29-20(26)12-32-22-24-16-5-3-4-6-17(16)31-22/h3-10H,2,11-12H2,1H3,(H,23,27)