N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(2-oxolanylmethyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(oxolan-2-ylmethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-5-methoxy-2-nitro-N-(tetrahydrofurfuryl)benzamide Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N(CC2CCCO2)C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H23N3O6S/c1-3-30-19-12-17(25(27)28)15(11-18(19)29-2)21(26)24(13-14-7-6-10-31-14)22-23-16-8-4-5-9-20(16)32-22/h4-5,8-9,11-12,14H,3,6-7,10,13H2,1-2H3