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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CC=C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=C(C(=CC=C3)OC)OC)S2)CC=C

InChI

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