O4-ethyl O2-methyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-methyl 5-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-ethyl O2-methyl 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester IUPAC Name: 4-O-ethyl 2-O-methyl 5-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-ethyl ester O2-methyl ester Formula: C19H15ClN2O7S2 MolecularWeight: 482.9146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H15ClN2O7S2/c1-4-29-18(24)11-8(2)13(19(25)28-3)31-17(11)21-16(23)15-12(20)9-6-5-7-10(22(26)27)14(9)30-15/h5-7H,4H2,1-3H3,(H,21,23)