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

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propanamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxypropanamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-phenoxy-propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCOC3=CC=CC=C3)S2)CCOC

InChI

InChI=1S/C21H23N3O4S/c1-15(25)22-16-8-9-18-19(14-16)29-21(24(18)11-13-27-2)23-20(26)10-12-28-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,22,25)