ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylcarbamothioylamino)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylcarbamothioylamino)-4H-pyran-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylcarbamothioylamino)-4H-pyran-3-carboxylate CAS Name: 6-[[anilino(sulfanylidene)methyl]amino]-5-cyano-2-methyl-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-4-phenyl-6-(phenylcarbamothioylamino)-4H-pyran-3-carboxylate Traditional Name: 5-cyano-2-methyl-4-phenyl-6-(phenylthiocarbamoylamino)-4H-pyran-3-carboxylic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)NC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O3S/c1-3-28-22(27)19-15(2)29-21(26-23(30)25-17-12-8-5-9-13-17)18(14-24)20(19)16-10-6-4-7-11-16/h4-13,20H,3H2,1-2H3,(H2,25,26,30)