[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C18H15BrN2O4S/c1-11-8-12(6-7-13(11)19)20-16(22)9-24-17(23)10-26-18-21-14-4-2-3-5-15(14)25-18/h2-8H,9-10H2,1H3,(H,20,22)