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

Systemtic Name: methyl 3-(2-methoxyethyl)-2-(4-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-methoxyethyl)-2-[oxo-(4-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-2-(4-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-amoxybenzoyl)imino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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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)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O5S/c1-4-5-6-14-31-19-10-7-17(8-11-19)22(27)25-24-26(13-15-29-2)20-12-9-18(23(28)30-3)16-21(20)32-24/h7-12,16H,4-6,13-15H2,1-3H3