methyl 3-(5,6-dimethoxy-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(5,6-dimethoxy-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[5,6-dimethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[5,6-dimethoxy-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5,6-dimethoxy-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[5,6-dimethoxy-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC)OC

InChI

InChI=1S/C18H18N2O5S2/c1-23-12-9-11-15(10-13(12)24-2)27-18(20(11)7-6-16(21)25-3)19-17(22)14-5-4-8-26-14/h4-5,8-10H,6-7H2,1-3H3