methyl 3-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C15H19BrN2O4S MolecularWeight: 403.29136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CSCCC(=O)OC

InChI

InChI=1S/C15H19BrN2O4S/c1-10-7-11(16)3-4-12(10)18-13(19)8-17-14(20)9-23-6-5-15(21)22-2/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,20)(H,18,19)