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

Systemtic Name: methyl 3-[2-(4-ethoxyphenyl)carbonylimino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[(4-ethoxyphenyl)-oxomethyl]imino-6-methoxy-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-ethoxybenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ethoxybenzoyl)imino-6-methoxy-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCC(=O)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-28-15-7-5-14(6-8-15)20(25)22-21-23(12-11-19(24)27-3)17-10-9-16(26-2)13-18(17)29-21/h5-10,13H,4,11-12H2,1-3H3