ethyl 4-[(E)-2-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate

Systemtic Name: ethyl 4-[(E)-2-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate Openeye Name: ethyl 4-[(E)-2-(2-ethylthiochroman-6-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-2-(2-ethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)prop-1-enyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-(2-ethyl-3,4-dihydro-2H-thiochromen-6-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-2-(2-ethylthiochroman-6-yl)prop-1-enyl]benzoic acid ethyl ester Formula: C23H26O2S MolecularWeight: 366.51634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(S1)C=CC(=C2)C(=CC3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCC1CCC2=C(S1)C=CC(=C2)/C(=C/C3=CC=C(C=C3)C(=O)OCC)/C

InChI

InChI=1S/C23H26O2S/c1-4-21-12-10-20-15-19(11-13-22(20)26-21)16(3)14-17-6-8-18(9-7-17)23(24)25-5-2/h6-9,11,13-15,21H,4-5,10,12H2,1-3H3/b16-14+