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

Systemtic Name: S-heptyl 3-[2-(methylamino)-4-oxidanylidene-5-phenyl-furan-3-yl]benzenecarbothioate Openeye Name: S-heptyl 3-[2-(methylamino)-4-oxo-5-phenyl-3-furyl]benzenecarbothioate CAS Name: 3-[2-(methylamino)-4-oxo-5-phenyl-3-furanyl]benzenecarbothioic acid S-heptyl ester IUPAC Name: S-heptyl 3-[2-(methylamino)-4-oxo-5-phenylfuran-3-yl]benzenecarbothioate Traditional Name: 3-[4-keto-2-(methylamino)-5-phenyl-3-furyl]thiobenzoic acid S-heptyl ester Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO3S/c1-3-4-5-6-10-16-30-25(28)20-15-11-14-19(17-20)21-22(27)23(29-24(21)26-2)18-12-8-7-9-13-18/h7-9,11-15,17,23,26H,3-6,10,16H2,1-2H3