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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl propanoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-4-20(24)28-13-23(21(25)26-3)17-10-9-15(11-14(17)2)27-12-19-22-16-7-5-6-8-18(16)29-19/h5-11H,4,12-13H2,1-3H3