N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Openeye Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide CAS Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide IUPAC Name: N-(7-chloro-4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxybenzamide Traditional Name: N-(7-chloro-4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-3,5-dimethoxy-benzamide Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC(=C3)OC)OC)N2CC#C

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC(=CC(=C3)OC)OC)N2CC#C

InChI

InChI=1S/C20H17ClN2O4S/c1-5-8-23-17-16(27-4)7-6-15(21)18(17)28-20(23)22-19(24)12-9-13(25-2)11-14(10-12)26-3/h1,6-7,9-11H,8H2,2-4H3