[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]butanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate CAS Name: 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 4-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]butanoate Traditional Name: 4-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]butyric acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C20H20BrN3O5S MolecularWeight: 494.3589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32)Br

InChI

InChI=1S/C20H20BrN3O5S/c1-13-11-14(8-9-16(13)21)23-18(25)12-29-19(26)7-4-10-22-20-15-5-2-3-6-17(15)30(27,28)24-20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,22,24)(H,23,25)