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

Systemtic Name: (3R)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-(6-ethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3COC4=CC=CC=C4O3)S2)CC#C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)[C@H]3COC4=CC=CC=C4O3)S2)CC#C

InChI

InChI=1S/C21H18N2O4S/c1-3-11-23-15-10-9-14(25-4-2)12-19(15)28-21(23)22-20(24)18-13-26-16-7-5-6-8-17(16)27-18/h1,5-10,12,18H,4,11,13H2,2H3/t18-/m1/s1