[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl] ester Formula: C18H12Br2ClNO3S MolecularWeight: 517.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C18H12Br2ClNO3S/c1-9-6-11(19)16(12(20)7-9)22-14(23)8-25-18(24)17-15(21)10-4-2-3-5-13(10)26-17/h2-7H,8H2,1H3,(H,22,23)