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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-5-28-21(25)15(3)24(22(26)27-4)18-11-10-16(12-14(18)2)29-13-20-23-17-8-6-7-9-19(17)30-20/h6-12,15H,5,13H2,1-4H3