4-ethyl-4-methyl-2,3-dihydrothiochromene; ethyl 6-prop-1-ynylpyridine-3-carboxylate

Systemtic Name: 4-ethyl-4-methyl-2,3-dihydrothiochromene; ethyl 6-prop-1-ynylpyridine-3-carboxylate Openeye Name: 4-ethyl-4-methyl-thiochromane; ethyl 6-prop-1-ynylpyridine-3-carboxylate CAS Name: 4-ethyl-4-methyl-2,3-dihydro-1-benzothiopyran; 6-prop-1-ynyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: 4-ethyl-4-methyl-2,3-dihydrothiochromene; ethyl 6-prop-1-ynylpyridine-3-carboxylate Traditional Name: 4-ethyl-4-methyl-thiochroman; 6-prop-1-ynylnicotinic acid ethyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCSC2=CC=CC=C21)C.CCOC(=O)C1=CN=C(C=C1)C#CC

Isomeric SMILES

CCC1(CCSC2=CC=CC=C21)C.CCOC(=O)C1=CN=C(C=C1)C#CC

InChI

InChI=1S/C12H16S.C11H11NO2/c1-3-12(2)8-9-13-11-7-5-4-6-10(11)12;1-3-5-10-7-6-9(8-12-10)11(13)14-4-2/h4-7H,3,8-9H2,1-2H3;6-8H,4H2,1-2H3