methyl 5-chloranyl-3-[(4-methoxy-2-nitro-phenyl)carbamoyl]-4,7-dimethyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-chloranyl-3-[(4-methoxy-2-nitro-phenyl)carbamoyl]-4,7-dimethyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-chloro-3-[(4-methoxy-2-nitro-phenyl)carbamoyl]-4,7-dimethyl-benzothiophene-2-carboxylate CAS Name: 5-chloro-3-[(4-methoxy-2-nitroanilino)-oxomethyl]-4,7-dimethyl-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-3-[(4-methoxy-2-nitrophenyl)carbamoyl]-4,7-dimethyl-1-benzothiophene-2-carboxylate Traditional Name: 5-chloro-3-[(4-methoxy-2-nitro-phenyl)carbamoyl]-4,7-dimethyl-benzothiophene-2-carboxylic acid methyl ester Formula: C20H17ClN2O6S MolecularWeight: 448.87678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1SC(=C2C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C)Cl

Isomeric SMILES

CC1=CC(=C(C2=C1SC(=C2C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C)Cl

InChI

InChI=1S/C20H17ClN2O6S/c1-9-7-12(21)10(2)15-16(18(20(25)29-4)30-17(9)15)19(24)22-13-6-5-11(28-3)8-14(13)23(26)27/h5-8H,1-4H3,(H,22,24)