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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl benzoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl benzoate CAS Name: benzoic 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 benzoate Traditional Name: benzoic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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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=CC=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O5S/c1-17-14-19(31-15-23-26-20-10-6-7-11-22(20)33-23)12-13-21(17)27(25(29)30-2)16-32-24(28)18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3