ethyl 4-oxidanylidene-8-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]chromene-2-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-8-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]chromene-2-carboxylate Openeye Name: ethyl 4-oxo-8-[[4-(2-quinolylmethoxy)phenyl]sulfanylmethyl]chromene-2-carboxylate CAS Name: 4-oxo-8-[[[4-(2-quinolinylmethoxy)phenyl]thio]methyl]-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-8-[[4-(quinolin-2-ylmethoxy)phenyl]sulfanylmethyl]chromene-2-carboxylate Traditional Name: 4-keto-8-[[[4-(2-quinolylmethoxy)phenyl]thio]methyl]chromene-2-carboxylic acid ethyl ester Formula: C29H23NO5S MolecularWeight: 497.56162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC=C2)CSC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C(=CC=C2)CSC3=CC=C(C=C3)OCC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H23NO5S/c1-2-33-29(32)27-16-26(31)24-8-5-7-20(28(24)35-27)18-36-23-14-12-22(13-15-23)34-17-21-11-10-19-6-3-4-9-25(19)30-21/h3-16H,2,17-18H2,1H3