ethyl 3-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]propanoate

Systemtic Name: ethyl 3-[(2,2-dimethyl-5-oxidanylidene-7-pentyl-3H-thiochromen-4-yl)amino]propanoate Openeye Name: ethyl 3-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]propanoate CAS Name: 3-[(2,2-dimethyl-5-oxo-7-pentyl-3H-1-benzothiopyran-4-yl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(2,2-dimethyl-5-oxo-7-pentyl-3H-thiochromen-4-yl)amino]propanoate Traditional Name: 3-[(7-amyl-5-keto-2,2-dimethyl-3H-thiochromen-4-yl)amino]propionic acid 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)NCCC(=O)OCC

Isomeric SMILES

CCCCCC1=CC(=O)C2=C(CC(SC2=C1)(C)C)NCCC(=O)OCC

InChI

InChI=1S/C21H31NO3S/c1-5-7-8-9-15-12-17(23)20-16(22-11-10-19(24)25-6-2)14-21(3,4)26-18(20)13-15/h12-13,22H,5-11,14H2,1-4H3