methyl (4S)-6-azanyl-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate

Systemtic Name: methyl (4S)-6-azanyl-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Openeye Name: methyl (4S)-6-amino-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylate CAS Name: (4S)-6-amino-4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thiophenyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-amino-4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)thiophen-2-yl]-5-cyano-2-methyl-4H-pyran-3-carboxylate Traditional Name: (4S)-6-amino-4-[4-[(1,3-benzothiazol-2-ylthio)methyl]-2-thienyl]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid methyl ester Formula: C21H17N3O3S3 MolecularWeight: 455.57298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CS2)CSC3=NC4=CC=CC=C4S3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C(=C(O1)N)C#N)C2=CC(=CS2)CSC3=NC4=CC=CC=C4S3)C(=O)OC

InChI

InChI=1S/C21H17N3O3S3/c1-11-17(20(25)26-2)18(13(8-22)19(23)27-11)16-7-12(9-28-16)10-29-21-24-14-5-3-4-6-15(14)30-21/h3-7,9,18H,10,23H2,1-2H3/t18-/m1/s1