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

Systemtic Name: methyl 3-methyl-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-methyl-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-methyl-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-amoxybenzoyl)imino-3-methyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H24N2O4S/c1-4-5-6-13-28-17-10-7-15(8-11-17)20(25)23-22-24(2)18-12-9-16(21(26)27-3)14-19(18)29-22/h7-12,14H,4-6,13H2,1-3H3