tert-butyl N-[1-[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[1-[5-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate Openeye Name: tert-butyl N-[1-[5-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate CAS Name: N-[1-[5-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[5-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]ethyl]carbamate Traditional Name: N-[1-[5-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]thio]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester Formula: C18H23ClN4O4S MolecularWeight: 426.91762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(O2)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(O2)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H23ClN4O4S/c1-10-12(19)7-6-8-13(10)21-14(24)9-28-17-23-22-15(26-17)11(2)20-16(25)27-18(3,4)5/h6-8,11H,9H2,1-5H3,(H,20,25)(H,21,24)