ethyl 5-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[(1-phenyl-1,2,3-triazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[(1-phenyltriazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 5-[[oxo-(1-phenyl-4-triazolyl)methyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-phenyltriazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[(1-phenyltriazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=O)C3=CN(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H16N4O3S/c1-2-27-20(26)18-11-13-10-14(8-9-17(13)28-18)21-19(25)16-12-24(23-22-16)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,21,25)