tert-butyl N-[6-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Systemtic Name: tert-butyl N-[6-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: tert-butyl N-[6-methyl-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamate CAS Name: N-[6-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-[6-methyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[6-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=CC2=C(C=C1C(=O)NC3=CC=NC=C3)SCCC2NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C(=O)NC3=CC=NC=C3)SCCC2NC(=O)OC(C)(C)C

InChI

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