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

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-methoxycarbonyl-amino]methyl 2-chloranylethanoate Openeye Name: [4-(1,3-benzothiazol-2-ylmethoxy)-N-methoxycarbonyl-2-methyl-anilino]methyl 2-chloroacetate CAS Name: 2-chloroacetic 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 2-chloroacetate Traditional Name: 2-chloroacetic acid [4-(1,3-benzothiazol-2-ylmethoxy)-N-carbomethoxy-2-methyl-anilino]methyl ester Formula: C20H19ClN2O5S MolecularWeight: 434.89326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O5S/c1-13-9-14(27-11-18-22-15-5-3-4-6-17(15)29-18)7-8-16(13)23(20(25)26-2)12-28-19(24)10-21/h3-9H,10-12H2,1-2H3