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

Systemtic Name: [4-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]-2-methoxy-phenyl] butanoate Openeye Name: [4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]-2-methoxy-phenyl] butanoate CAS Name: butanoic acid [4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-2-methoxyphenyl] butanoate Traditional Name: butyric acid [4-[2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]-2-methoxy-phenyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-3-4-19(25)27-15-8-5-12(9-16(15)26-2)10-18(24)23-20-22-14-7-6-13(21)11-17(14)28-20/h5-9,11H,3-4,10H2,1-2H3,(H,22,23,24)