2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanylethyl 1-benzofuran-2-carboxylate

Systemtic Name: 2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]sulfanylethyl 1-benzofuran-2-carboxylate Openeye Name: 2-[2-(1-naphthylamino)-2-oxo-ethyl]sulfanylethyl benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid 2-[[2-(1-naphthalenylamino)-2-oxoethyl]thio]ethyl ester IUPAC Name: 2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylethyl 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid 2-[[2-keto-2-(1-naphthylamino)ethyl]thio]ethyl ester Formula: C23H19NO4S MolecularWeight: 405.46626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSCCOC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CSCCOC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H19NO4S/c25-22(24-19-10-5-8-16-6-1-3-9-18(16)19)15-29-13-12-27-23(26)21-14-17-7-2-4-11-20(17)28-21/h1-11,14H,12-13,15H2,(H,24,25)