ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylcarbonylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylcarbonylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)thiophene-3-carboxylate CAS Name: 2-[[oxo(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonylamino)thiophene-3-carboxylate Traditional Name: 4-phenyl-2-(4,5,6,7-tetrahydroindoxazene-3-carbonylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NOC4=C3CCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=NOC4=C3CCCC4

InChI

InChI=1S/C21H20N2O4S/c1-2-26-21(25)17-15(13-8-4-3-5-9-13)12-28-20(17)22-19(24)18-14-10-6-7-11-16(14)27-23-18/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,22,24)