methyl 2-[2-(4-butoxyphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-butoxyphenyl)carbonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-butoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-butoxyphenyl)-oxomethyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-butoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-butoxybenzoyl)imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CC(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OCC)CC(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-4-6-13-30-17-9-7-16(8-10-17)22(27)24-23-25(15-21(26)28-3)19-12-11-18(29-5-2)14-20(19)31-23/h7-12,14H,4-6,13,15H2,1-3H3