1,3-bis(chloranyl)propan-2-yl 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxo-butanoate CAS Name: 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxobutanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxobutanoate Traditional Name: 4-(6-ethoxy-1,3-benzothiazol-2-yl)-4-keto-butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C16H17Cl2NO4S MolecularWeight: 390.28148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)CCC(=O)OC(CCl)CCl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)C(=O)CCC(=O)OC(CCl)CCl

InChI

InChI=1S/C16H17Cl2NO4S/c1-2-22-10-3-4-12-14(7-10)24-16(19-12)13(20)5-6-15(21)23-11(8-17)9-18/h3-4,7,11H,2,5-6,8-9H2,1H3