N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methyl-thiophene-2-carboxamide

Systemtic Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methyl-thiophene-2-carboxamide Openeye Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methyl-thiophene-2-carboxamide CAS Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methyl-2-thiophenecarboxamide IUPAC Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methylthiophene-2-carboxamide Traditional Name: N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]-5-methyl-thiophene-2-carboxamide Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

Isomeric SMILES

CC1=CC=C(S1)C(=O)NC2=NC3=C(C=CC(=C3S2)C4COCCOC4)OC

InChI

InChI=1S/C19H20N2O4S2/c1-11-3-6-15(26-11)18(22)21-19-20-16-14(23-2)5-4-13(17(16)27-19)12-9-24-7-8-25-10-12/h3-6,12H,7-10H2,1-2H3,(H,20,21,22)