2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]ethyl benzoate

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]ethyl benzoate Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]ethyl benzoate CAS Name: benzoic acid 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]ethyl ester IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]ethyl benzoate Traditional Name: benzoic acid 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]ethyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)N(CCOC(=O)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H24N2O5S/c1-18-16-20(33-17-24-27-21-10-6-7-11-23(21)34-24)12-13-22(18)28(26(30)31-2)14-15-32-25(29)19-8-4-3-5-9-19/h3-13,16H,14-15,17H2,1-2H3