S-ethyl 3-(2-azanyl-5-naphthalen-1-yl-4-oxidanylidene-furan-3-yl)-2-ethyl-benzenecarbothioate

Systemtic Name: S-ethyl 3-(2-azanyl-5-naphthalen-1-yl-4-oxidanylidene-furan-3-yl)-2-ethyl-benzenecarbothioate Openeye Name: S-ethyl 3-[2-amino-5-(1-naphthyl)-4-oxo-3-furyl]-2-ethyl-benzenecarbothioate CAS Name: 3-[2-amino-5-(1-naphthalenyl)-4-oxo-3-furanyl]-2-ethylbenzenecarbothioic acid S-ethyl ester IUPAC Name: S-ethyl 3-(2-amino-5-naphthalen-1-yl-4-oxofuran-3-yl)-2-ethylbenzenecarbothioate Traditional Name: 3-[2-amino-4-keto-5-(1-naphthyl)-3-furyl]-2-ethyl-thiobenzoic acid S-ethyl ester Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1C(=O)SCC)C2=C(OC(C2=O)C3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CCC1=C(C=CC=C1C(=O)SCC)C2=C(OC(C2=O)C3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C25H23NO3S/c1-3-16-18(12-8-14-20(16)25(28)30-4-2)21-22(27)23(29-24(21)26)19-13-7-10-15-9-5-6-11-17(15)19/h5-14,23H,3-4,26H2,1-2H3