methyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-(1,3-benzothiazol-6-ylcarbonylamino)-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-(1,3-benzothiazole-6-carbonylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazole-6-carbonylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-(1,3-benzothiazole-6-carbonylamino)-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C20H14N2O3S2 MolecularWeight: 394.46676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H14N2O3S2/c1-25-20(24)18-15(10-16(27-18)12-5-3-2-4-6-12)22-19(23)13-7-8-14-17(9-13)26-11-21-14/h2-11H,1H3,(H,22,23)