ethyl 2-[3-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate

Systemtic Name: ethyl 2-[3-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[[2-(2-acetoxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetate CAS Name: 2-[3-[[[2-(2-acetyloxyethylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-(2-acetyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]carbamoyl]pyridin-2-yl]acetate Traditional Name: 2-[3-[[2-(2-acetoxyethylthio)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

Isomeric SMILES

CCOC(=O)CC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCOC(=O)C

InChI

InChI=1S/C21H21N3O5S2/c1-3-28-19(26)12-17-15(5-4-8-22-17)20(27)23-14-6-7-16-18(11-14)31-21(24-16)30-10-9-29-13(2)25/h4-8,11H,3,9-10,12H2,1-2H3,(H,23,27)