ethyl 2-(4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylcarbonylamino)-4-methyl-5-propanoyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-(4,5-dihydrobenzo[g][1,2]benzoxazol-3-ylcarbonylamino)-4-methyl-5-propanoyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)-4-methyl-5-propanoyl-thiophene-3-carboxylate CAS Name: 2-[[4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl(oxo)methyl]amino]-4-methyl-5-(1-oxopropyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4,5-dihydrobenzo[g][1,2]benzoxazole-3-carbonylamino)-4-methyl-5-propanoylthiophene-3-carboxylate Traditional Name: 2-(4,5-dihydrobenz[g]indoxazene-3-carbonylamino)-4-methyl-5-propionyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43)C(=O)OCC)C

Isomeric SMILES

CCC(=O)C1=C(C(=C(S1)NC(=O)C2=NOC3=C2CCC4=CC=CC=C43)C(=O)OCC)C

InChI

InChI=1S/C23H22N2O5S/c1-4-16(26)20-12(3)17(23(28)29-5-2)22(31-20)24-21(27)18-15-11-10-13-8-6-7-9-14(13)19(15)30-25-18/h6-9H,4-5,10-11H2,1-3H3,(H,24,27)