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

Systemtic Name: methyl 4-cyano-3-methyl-5-(9H-xanthen-9-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H16N2O4S MolecularWeight: 404.43844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)OC

InChI

InChI=1S/C22H16N2O4S/c1-12-15(11-23)21(29-19(12)22(26)27-2)24-20(25)18-13-7-3-5-9-16(13)28-17-10-6-4-8-14(17)18/h3-10,18H,1-2H3,(H,24,25)