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

Systemtic Name: tert-butyl N-[6-methoxy-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: tert-butyl N-[6-methoxy-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamate CAS Name: N-[6-methoxy-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-methoxy-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[6-methoxy-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamic acid tert-butyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCSC2=C1C=C(C(=C2)C(=O)NC3=CC=NC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCSC2=C1C=C(C(=C2)C(=O)NC3=CC=NC=C3)OC

InChI

InChI=1S/C21H25N3O4S/c1-21(2,3)28-20(26)24-16-7-10-29-18-12-15(17(27-4)11-14(16)18)19(25)23-13-5-8-22-9-6-13/h5-6,8-9,11-12,16H,7,10H2,1-4H3,(H,24,26)(H,22,23,25)