tert-butyl N-[(2-chloranyl-6-methylsulfinyl-4-oxidanylidene-thieno[2,3-b]thiopyran-5-yl)methyl]carbamate

Systemtic Name: tert-butyl N-[(2-chloranyl-6-methylsulfinyl-4-oxidanylidene-thieno[2,3-b]thiopyran-5-yl)methyl]carbamate Openeye Name: tert-butyl N-[(2-chloro-6-methylsulfinyl-4-oxo-thieno[2,3-b]thiopyran-5-yl)methyl]carbamate CAS Name: N-[(2-chloro-6-methylsulfinyl-4-oxo-5-thieno[2,3-b]thiopyranyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2-chloro-6-methylsulfinyl-4-oxothieno[2,3-b]thiopyran-5-yl)methyl]carbamate Traditional Name: N-[(2-chloro-4-keto-6-methylsulfinyl-thieno[2,3-b]thiopyran-5-yl)methyl]carbamic acid tert-butyl ester Formula: C14H16ClNO4S3 MolecularWeight: 393.92914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(SC2=C(C1=O)C=C(S2)Cl)S(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(SC2=C(C1=O)C=C(S2)Cl)S(=O)C

InChI

InChI=1S/C14H16ClNO4S3/c1-14(2,3)20-13(18)16-6-8-10(17)7-5-9(15)21-11(7)22-12(8)23(4)19/h5H,6H2,1-4H3,(H,16,18)