ethyl 4-cyano-3-methyl-5-(9H-xanthen-9-ylcarbonylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-(9H-xanthen-9-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo(9H-xanthen-9-yl)methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-(9H-xanthene-9-carbonylamino)thiophene-2-carboxylic acid ethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C#N)C

InChI

InChI=1S/C23H18N2O4S/c1-3-28-23(27)20-13(2)16(12-24)22(30-20)25-21(26)19-14-8-4-6-10-17(14)29-18-11-7-5-9-15(18)19/h4-11,19H,3H2,1-2H3,(H,25,26)