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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-12-16(28-13-20-22-17-6-4-5-7-19(17)29-20)8-9-18(14)23(21(25)26-3)10-11-27-15(2)24/h4-9,12H,10-11,13H2,1-3H3