tert-butyl N-[8-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Systemtic Name: tert-butyl N-[8-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: tert-butyl N-[8-methyl-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamate CAS Name: N-[8-methyl-7-[oxo-(pyridin-4-ylamino)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[8-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[8-methyl-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamic acid tert-butyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1SCCC2NC(=O)OC(C)(C)C)C(=O)NC3=CC=NC=C3

Isomeric SMILES

CC1=C(C=CC2=C1SCCC2NC(=O)OC(C)(C)C)C(=O)NC3=CC=NC=C3

InChI

InChI=1S/C21H25N3O3S/c1-13-15(19(25)23-14-7-10-22-11-8-14)5-6-16-17(9-12-28-18(13)16)24-20(26)27-21(2,3)4/h5-8,10-11,17H,9,12H2,1-4H3,(H,24,26)(H,22,23,25)