methyl 3-[6-ethyl-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethyl-2-(3-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[(3-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(3-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethyl-2-m-anisoylimino-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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