N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide

Systemtic Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide Openeye Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanyl-benzamide CAS Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(ethylthio)benzamide IUPAC Name: N-(5,6-dimethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-ethylsulfanylbenzamide Traditional Name: N-(5,6-dimethoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(ethylthio)benzamide Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

Isomeric SMILES

CCSC1=CC=CC(=C1)C(=O)N=C2N(C3=CC(=C(C=C3S2)OC)OC)CC#C

InChI

InChI=1S/C21H20N2O3S2/c1-5-10-23-16-12-17(25-3)18(26-4)13-19(16)28-21(23)22-20(24)14-8-7-9-15(11-14)27-6-2/h1,7-9,11-13H,6,10H2,2-4H3