N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxybenzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3,4,5-triethoxy-benzamide Formula: C25H31N3O6S MolecularWeight: 501.59514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CCOC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CCOC

InChI

InChI=1S/C25H31N3O6S/c1-6-32-20-13-17(14-21(33-7-2)23(20)34-8-3)24(30)27-25-28(11-12-31-5)19-10-9-18(26-16(4)29)15-22(19)35-25/h9-10,13-15H,6-8,11-12H2,1-5H3,(H,26,29)