methyl 2-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-chloranyl-7-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-chloro-7-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chloro-7-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-chloro-7-nitro-benzothiophene-2-carbonyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H10ClN3O5S2 MolecularWeight: 447.8721

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H10ClN3O5S2/c1-27-17(24)8-5-6-10-12(7-8)28-18(20-10)21-16(23)15-13(19)9-3-2-4-11(22(25)26)14(9)29-15/h2-7H,1H3,(H,20,21,23)