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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]ethyl propanoate Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]ethyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid 2-[4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]ethyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCN(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

Isomeric SMILES

CCC(=O)OCCN(C1=C(C=C(C=C1)OCC2=NC3=CC=CC=C3S2)C)C(=O)OC

InChI

InChI=1S/C22H24N2O5S/c1-4-21(25)28-12-11-24(22(26)27-3)18-10-9-16(13-15(18)2)29-14-20-23-17-7-5-6-8-19(17)30-20/h5-10,13H,4,11-12,14H2,1-3H3