ethyl 3-methyl-4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)carbamoylamino]benzoate

Systemtic Name: ethyl 3-methyl-4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)carbamoylamino]benzoate Openeye Name: ethyl 3-methyl-4-[(2,2,4,4,7-pentamethylthiochroman-8-yl)carbamoylamino]benzoate CAS Name: 3-methyl-4-[[oxo-[(2,2,4,4,7-pentamethyl-3H-1-benzothiopyran-8-yl)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[(2,2,4,4,7-pentamethyl-3H-thiochromen-8-yl)carbamoylamino]benzoate Traditional Name: 3-methyl-4-[(2,2,4,4,7-pentamethylthiochroman-8-yl)carbamoylamino]benzoic acid ethyl ester Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)NC2=C(C=CC3=C2SC(CC3(C)C)(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)NC2=C(C=CC3=C2SC(CC3(C)C)(C)C)C)C

InChI

InChI=1S/C25H32N2O3S/c1-8-30-22(28)17-10-12-19(16(3)13-17)26-23(29)27-20-15(2)9-11-18-21(20)31-25(6,7)14-24(18,4)5/h9-13H,8,14H2,1-7H3,(H2,26,27,29)