N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonyl-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-isopropylsulfonyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-propan-2-ylsulfonylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-3-isopropylsulfonyl-benzamide Formula: C21H23N3O6S2 MolecularWeight: 477.55382

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C(C)C

InChI

InChI=1S/C21H23N3O6S2/c1-4-30-11-10-23-18-9-8-16(24(26)27)13-19(18)31-21(23)22-20(25)15-6-5-7-17(12-15)32(28,29)14(2)3/h5-9,12-14H,4,10-11H2,1-3H3