methyl 2-(4-butoxyphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-(4-butoxyphenyl)carbonylimino-3-methyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-(4-butoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(4-butoxyphenyl)-oxomethyl]imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-butoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-butoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-4-5-12-27-16-9-6-14(7-10-16)19(24)22-21-23(2)17-11-8-15(20(25)26-3)13-18(17)28-21/h6-11,13H,4-5,12H2,1-3H3