N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-2-oxolanyl]methyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-oxolan-2-yl]methyl]benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitro-N-[[(2R)-tetrahydrofuran-2-yl]methyl]benzamide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(C[C@H]2CCCO2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-27-17-9-8-13(11-16(17)23(25)26)19(24)22(12-14-5-4-10-28-14)20-21-15-6-2-3-7-18(15)29-20/h2-3,6-9,11,14H,4-5,10,12H2,1H3/t14-/m1/s1