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

Systemtic Name: methyl 3-ethyl-2-(3-pentoxyphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 3-ethyl-2-[oxo-(3-pentoxyphenyl)methyl]imino-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-2-(3-pentoxybenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-amoxybenzoyl)imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4S/c1-4-6-7-13-29-18-10-8-9-16(14-18)21(26)24-23-25(5-2)19-12-11-17(22(27)28-3)15-20(19)30-23/h8-12,14-15H,4-7,13H2,1-3H3