N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromanyl-thiophene-2-carboxamide

Systemtic Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromanyl-thiophene-2-carboxamide Openeye Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromo-thiophene-2-carboxamide CAS Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromo-2-thiophenecarboxamide IUPAC Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromothiophene-2-carboxamide Traditional Name: N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-5-bromo-thiophene-2-carboxamide Formula: C17H16BrN3O3S2 MolecularWeight: 454.36124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CCOC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(S3)Br)S2)CCOC

InChI

InChI=1S/C17H16BrN3O3S2/c1-10(22)19-11-3-4-12-14(9-11)26-17(21(12)7-8-24-2)20-16(23)13-5-6-15(18)25-13/h3-6,9H,7-8H2,1-2H3,(H,19,22)