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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl pentanoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCN(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

Isomeric SMILES

CCCCC(=O)OCN(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

InChI

InChI=1S/C23H26N2O5S/c1-4-5-10-22(26)30-15-25(23(27)28-3)19-12-11-17(13-16(19)2)29-14-21-24-18-8-6-7-9-20(18)31-21/h6-9,11-13H,4-5,10,14-15H2,1-3H3