N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide

Systemtic Name: N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide Openeye Name: N-(3-allyl-4-ethoxy-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide CAS Name: N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxybenzamide IUPAC Name: N-(4-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2,6-dimethoxybenzamide Traditional Name: N-(3-allyl-4-ethoxy-1,3-benzothiazol-2-ylidene)-2,6-dimethoxy-benzamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC=C3OC)OC)N2CC=C

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=NC(=O)C3=C(C=CC=C3OC)OC)N2CC=C

InChI

InChI=1S/C21H22N2O4S/c1-5-13-23-19-16(27-6-2)11-8-12-17(19)28-21(23)22-20(24)18-14(25-3)9-7-10-15(18)26-4/h5,7-12H,1,6,13H2,2-4H3