S-heptyl 3-(2-azanyl-4-oxidanylidene-5-phenyl-furan-3-yl)benzenecarbothioate

Systemtic Name: S-heptyl 3-(2-azanyl-4-oxidanylidene-5-phenyl-furan-3-yl)benzenecarbothioate Openeye Name: S-heptyl 3-(2-amino-4-oxo-5-phenyl-3-furyl)benzenecarbothioate CAS Name: 3-(2-amino-4-oxo-5-phenyl-3-furanyl)benzenecarbothioic acid S-heptyl ester IUPAC Name: S-heptyl 3-(2-amino-4-oxo-5-phenylfuran-3-yl)benzenecarbothioate Traditional Name: 3-(2-amino-4-keto-5-phenyl-3-furyl)thiobenzoic acid S-heptyl ester Formula: C24H27NO3S MolecularWeight: 409.54108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3=CC=CC=C3)N

Isomeric SMILES

CCCCCCCSC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3=CC=CC=C3)N

InChI

InChI=1S/C24H27NO3S/c1-2-3-4-5-9-15-29-24(27)19-14-10-13-18(16-19)20-21(26)22(28-23(20)25)17-11-7-6-8-12-17/h6-8,10-14,16,22H,2-5,9,15,25H2,1H3