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

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonyl-benzamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-ethylsulfonylbenzamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-esyl-benzamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CCOC

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)NC(=O)C)CCOC

InChI

InChI=1S/C21H23N3O5S2/c1-4-31(27,28)19-8-6-5-7-16(19)20(26)23-21-24(11-12-29-3)17-10-9-15(22-14(2)25)13-18(17)30-21/h5-10,13H,4,11-12H2,1-3H3,(H,22,25)