(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl ester IUPAC Name: (2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl ester Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CC2=C(C1)C=C3C(=C2)C(=CC(=O)O3)COC(=O)CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C22H17NO5S/c24-20-10-15(16-8-13-4-3-5-14(13)9-19(16)27-20)11-26-21(25)12-29-22-23-17-6-1-2-7-18(17)28-22/h1-2,6-10H,3-5,11-12H2