ethyl 4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)carbamoylamino]benzoate Openeye Name: ethyl 4-[(2,2,4,4,7-pentamethylthiochroman-6-yl)carbamoylamino]benzoate CAS Name: 4-[[oxo-[(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-6-yl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-6-yl)carbamoylamino]benzoate Traditional Name: 4-[(2,2,4,4,7-pentamethylthiochroman-6-yl)carbamoylamino]benzoic acid ethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=C3C(=C2)C(CC(S3)(C)C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=C3C(=C2)C(CC(S3)(C)C)(C)C)C

InChI

InChI=1S/C24H30N2O3S/c1-7-29-21(27)16-8-10-17(11-9-16)25-22(28)26-19-13-18-20(12-15(19)2)30-24(5,6)14-23(18,3)4/h8-13H,7,14H2,1-6H3,(H2,25,26,28)