methyl 3-chloranyl-6-[1-[(2-methoxycarbonyl-6-nitro-phenyl)amino]-2-oxidanylidene-hexyl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[1-[(2-methoxycarbonyl-6-nitro-phenyl)amino]-2-oxidanylidene-hexyl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(2-methoxycarbonyl-6-nitro-anilino)-2-oxo-hexyl]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[1-(2-methoxycarbonyl-6-nitroanilino)-2-oxohexyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(2-methoxycarbonyl-6-nitroanilino)-2-oxohexyl]-1-benzothiophene-2-carboxylate Traditional Name: 6-[1-(2-carbomethoxy-6-nitro-anilino)-2-keto-hexyl]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C24H23ClN2O7S MolecularWeight: 518.96662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(C1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCCC(=O)C(C1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C24H23ClN2O7S/c1-4-5-9-17(28)20(26-21-15(23(29)33-2)7-6-8-16(21)27(31)32)13-10-11-14-18(12-13)35-22(19(14)25)24(30)34-3/h6-8,10-12,20,26H,4-5,9H2,1-3H3