[(2S)-1-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]propan-2-yl] ethanoate

Systemtic Name: [(2S)-1-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]propan-2-yl] ethanoate Openeye Name: [(1S)-2-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]-1-methyl-ethyl] acetate CAS Name: acetic acid [(2S)-1-[(2,2-dimethyl-5-oxo-7-pentyl-3H-1-benzothiopyran-4-yl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]propan-2-yl] acetate Traditional Name: acetic acid [(1S)-2-[(7-amyl-5-keto-2,2-dimethyl-3H-thiochromen-4-yl)amino]-1-methyl-ethyl] ester Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCC(C)OC(=O)C

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NC[C@H](C)OC(=O)C

InChI

InChI=1S/C21H31NO3S/c1-6-7-8-9-16-10-18(24)20-17(22-13-14(2)25-15(3)23)12-21(4,5)26-19(20)11-16/h10-11,14,22H,6-9,12-13H2,1-5H3/t14-/m0/s1