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

Systemtic Name: methyl 2-[2-(3-butoxyphenyl)carbonylimino-6-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-butoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(3-butoxyphenyl)-oxomethyl]imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-butoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-butoxybenzoyl)imino-6-methyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-5-11-28-17-8-6-7-16(13-17)21(26)23-22-24(14-20(25)27-3)18-10-9-15(2)12-19(18)29-22/h6-10,12-13H,4-5,11,14H2,1-3H3