N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-(tetrazol-1-yl)benzamide CAS Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-3-(1-tetrazolyl)benzamide IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(tetrazol-1-yl)benzamide Traditional Name: N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-3-(tetrazol-1-yl)benzamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C19H19N5O3/c1-3-26-18-9-14-7-12(2)27-17(14)10-16(18)21-19(25)13-5-4-6-15(8-13)24-11-20-22-23-24/h4-6,8-12H,3,7H2,1-2H3,(H,21,25)/t12-/m0/s1