S-propyl 3-[2-(methylamino)-4-oxidanylidene-5-phenyl-furan-3-yl]benzenecarbothioate

Systemtic Name: S-propyl 3-[2-(methylamino)-4-oxidanylidene-5-phenyl-furan-3-yl]benzenecarbothioate Openeye Name: S-propyl 3-[2-(methylamino)-4-oxo-5-phenyl-3-furyl]benzenecarbothioate CAS Name: 3-[2-(methylamino)-4-oxo-5-phenyl-3-furanyl]benzenecarbothioic acid S-propyl ester IUPAC Name: S-propyl 3-[2-(methylamino)-4-oxo-5-phenylfuran-3-yl]benzenecarbothioate Traditional Name: 3-[4-keto-2-(methylamino)-5-phenyl-3-furyl]thiobenzoic acid S-propyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3=CC=CC=C3)NC

Isomeric SMILES

CCCSC(=O)C1=CC=CC(=C1)C2=C(OC(C2=O)C3=CC=CC=C3)NC

InChI

InChI=1S/C21H21NO3S/c1-3-12-26-21(24)16-11-7-10-15(13-16)17-18(23)19(25-20(17)22-2)14-8-5-4-6-9-14/h4-11,13,19,22H,3,12H2,1-2H3