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

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C16H18Cl2N2O4S MolecularWeight: 405.29612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18Cl2N2O4S/c1-2-23-10-3-4-12-13(7-10)25-16(19-12)20-14(21)5-6-15(22)24-11(8-17)9-18/h3-4,7,11H,2,5-6,8-9H2,1H3,(H,19,20,21)