methyl 3-[6-ethyl-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[6-ethyl-2-(4-methoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[6-ethyl-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[6-ethyl-2-[(4-methoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-ethyl-2-(4-methoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(6-ethyl-2-p-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=C(C=C3)OC)S2)CCC(=O)OC

Isomeric SMILES

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

InChI

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