methyl 3-[2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-ethoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CCC(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-3-26-15-10-8-14(9-11-15)19(24)21-20-22(13-12-18(23)25-2)16-6-4-5-7-17(16)27-20/h4-11H,3,12-13H2,1-2H3