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

Systemtic Name: ethyl 2-[3-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]pyridin-2-yl]ethanoate Openeye Name: ethyl 2-[3-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]-2-pyridyl]acetate CAS Name: 2-[3-[[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-2-pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]pyridin-2-yl]acetate Traditional Name: 2-[3-[[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]carbamoyl]-2-pyridyl]acetic acid ethyl ester Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)CC(=O)OCC

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(N=CC=C3)CC(=O)OCC

InChI

InChI=1S/C24H25N3O3S2/c1-3-5-6-7-8-14-31-24-27-19-12-11-17(15-21(19)32-24)26-23(29)18-10-9-13-25-20(18)16-22(28)30-4-2/h9-13,15H,3-5,8,14,16H2,1-2H3,(H,26,29)