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

Systemtic Name: N-[(4-ethylphenyl)-thiophen-2-yl-methyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-oxo-isochromane-3-carboxamide CAS Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[(4-ethylphenyl)-thiophen-2-ylmethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[(4-ethylphenyl)-(2-thienyl)methyl]-1-keto-isochroman-3-carboxamide Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C23H21NO3S/c1-2-15-9-11-16(12-10-15)21(20-8-5-13-28-20)24-22(25)19-14-17-6-3-4-7-18(17)23(26)27-19/h3-13,19,21H,2,14H2,1H3,(H,24,25)