ethyl 4-(4-bromophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyran-5-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyran-5-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-3-cyano-6-methyl-2-thioxo-3,4-dihydropyran-5-carboxylate CAS Name: 4-(4-bromophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyran-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-3-cyano-6-methyl-2-sulfanylidene-3,4-dihydropyran-5-carboxylate Traditional Name: 4-(4-bromophenyl)-3-cyano-6-methyl-2-thioxo-3,4-dihydropyran-5-carboxylic acid ethyl ester Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=S)C(C1C2=CC=C(C=C2)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=S)C(C1C2=CC=C(C=C2)Br)C#N)C

InChI

InChI=1S/C16H14BrNO3S/c1-3-20-15(19)13-9(2)21-16(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7,12,14H,3H2,1-2H3