methyl 4-[2-[(6-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[(6-nitro-1-benzothiophen-2-yl)carbonylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[(6-nitrobenzothiophene-2-carbonyl)amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[(6-nitro-1-benzothiophen-2-yl)-oxomethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(6-nitro-1-benzothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[(6-nitrobenzothiophene-2-carbonyl)amino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H13N3O5S2 MolecularWeight: 439.46432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O5S2/c1-28-19(25)12-4-2-11(3-5-12)15-10-29-20(21-15)22-18(24)17-8-13-6-7-14(23(26)27)9-16(13)30-17/h2-10H,1H3,(H,21,22,24)