(3R)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)[C@H]3COC4=CC=CC=C4O3)S2)CC#C

InChI

InChI=1S/C21H17N3O4S/c1-3-10-24-15-9-8-14(22-13(2)25)11-19(15)29-21(24)23-20(26)18-12-27-16-6-4-5-7-17(16)28-18/h1,4-9,11,18H,10,12H2,2H3,(H,22,25)/t18-/m1/s1