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

Systemtic Name: methyl 3-(6-ethyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[6-ethyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[oxo(thiophen-2-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-ethyl-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CS3)S2)CCC(=O)OC

InChI

InChI=1S/C18H18N2O3S2/c1-3-12-6-7-13-15(11-12)25-18(20(13)9-8-16(21)23-2)19-17(22)14-5-4-10-24-14/h4-7,10-11H,3,8-9H2,1-2H3