tert-butyl 3-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 3-[[2-[2-(diethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 3-[[2-[2-(diethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxo-propanoate CAS Name: 3-[[2-[[2-(diethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]amino]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[2-(diethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]amino]-3-oxopropanoate Traditional Name: 3-[[2-[[2-(diethylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]amino]-3-keto-propionic acid tert-butyl ester Formula: C20H27N3O4S2 MolecularWeight: 437.57608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O4S2/c1-6-23(7-2)17(25)12-28-19-22-14-9-8-13(10-15(14)29-19)21-16(24)11-18(26)27-20(3,4)5/h8-10H,6-7,11-12H2,1-5H3,(H,21,24)