N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-1-keto-isochroman-3-carboxamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C21H18N2O3S/c1-2-13-7-9-14(10-8-13)17-12-27-21(22-17)23-19(24)18-11-15-5-3-4-6-16(15)20(25)26-18/h3-10,12,18H,2,11H2,1H3,(H,22,23,24)