N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-benzylsulfonyl-propanamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-benzylsulfonylpropanamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-benzylsulfonyl-propionamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCOC

InChI

InChI=1S/C22H25N3O5S2/c1-16(26)23-18-8-9-19-20(14-18)31-22(25(19)11-12-30-2)24-21(27)10-13-32(28,29)15-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,23,26)