1,3-bis(chloranyl)propan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoate CAS Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoate Traditional Name: 5-keto-5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]valeric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C16H18Cl2N2O4S MolecularWeight: 405.29612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)OC(CCl)CCl

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)OC(CCl)CCl

InChI

InChI=1S/C16H18Cl2N2O4S/c1-23-10-5-6-12-13(7-10)25-16(19-12)20-14(21)3-2-4-15(22)24-11(8-17)9-18/h5-7,11H,2-4,8-9H2,1H3,(H,19,20,21)