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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 4-methoxybenzoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl ester IUPAC Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methylanilino]methyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O6S/c1-17-14-20(33-15-24-27-21-6-4-5-7-23(21)35-24)12-13-22(17)28(26(30)32-3)16-34-25(29)18-8-10-19(31-2)11-9-18/h4-14H,15-16H2,1-3H3