N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-bis(fluoranyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-difluoro-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,6-difluorobenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2,6-difluoro-benzamide Formula: C19H13F2N3O2S MolecularWeight: 385.387226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C=CC=C3F)F)S2)CC#C

InChI

InChI=1S/C19H13F2N3O2S/c1-3-9-24-15-8-7-12(22-11(2)25)10-16(15)27-19(24)23-18(26)17-13(20)5-4-6-14(17)21/h1,4-8,10H,9H2,2H3,(H,22,25)