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

Systemtic Name: 1,3-bis(chloranyl)propan-2-yl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-chloro-1-(chloromethyl)ethyl] 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid 1,3-dichloropropan-2-yl ester IUPAC Name: 1,3-dichloropropan-2-yl 4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]butyric acid [2-chloro-1-(chloromethyl)ethyl] ester Formula: C15H16Cl2N2O4S MolecularWeight: 391.26954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N2O4S/c1-22-9-2-3-11-12(6-9)24-15(18-11)19-13(20)4-5-14(21)23-10(7-16)8-17/h2-3,6,10H,4-5,7-8H2,1H3,(H,18,19,20)