methyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[(2,2,4,4-tetramethyl-3H-1-benzothiopyran-6-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)carbamoyl]benzoate Traditional Name: 4-[(2,2,4,4-tetramethylthiochroman-6-yl)carbamoyl]benzoic acid methyl ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)(C)C)C

Isomeric SMILES

CC1(CC(SC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)(C)C)C

InChI

InChI=1S/C22H25NO3S/c1-21(2)13-22(3,4)27-18-11-10-16(12-17(18)21)23-19(24)14-6-8-15(9-7-14)20(25)26-5/h6-12H,13H2,1-5H3,(H,23,24)