ethyl 2-[1,3-benzothiazol-5-yl(3,4-dihydro-2H-thiochromen-4-ylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl(3,4-dihydro-2H-thiochromen-4-ylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl(thiochromane-4-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[3,4-dihydro-2H-1-benzothiopyran-4-yl(oxo)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl(3,4-dihydro-2H-thiochromene-4-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl(thiochroman-4-carbonyl)amino]acetic acid ethyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCSC4=CC=CC=C34

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H20N2O3S2/c1-2-26-20(24)12-23(14-7-8-19-17(11-14)22-13-28-19)21(25)16-9-10-27-18-6-4-3-5-15(16)18/h3-8,11,13,16H,2,9-10,12H2,1H3