ethyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(1-oxidanylidene-3,4-dihydroisochromen-3-yl)carbonylamino]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(1-oxoisochromane-3-carbonyl)amino]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[[oxo-(1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)methyl]amino]-4-phenyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(1-ketoisochroman-3-carbonyl)amino]-4-phenyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2CC3=CC=CC=C3C(=O)O2)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O5S/c1-2-28-21(27)18-17(13-8-4-3-5-9-13)23-22(30-18)24-19(25)16-12-14-10-6-7-11-15(14)20(26)29-16/h3-11,16H,2,12H2,1H3,(H,23,24,25)