ethyl (3S)-1-[4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[4-(3-oxidanylidene-1,4-benzothiazin-4-yl)butanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[4-(3-oxo-1,4-benzothiazin-4-yl)butanoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-4-(3-oxo-1,4-benzothiazin-4-yl)butyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[4-(3-oxo-1,4-benzothiazin-4-yl)butanoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[4-(3-keto-1,4-benzothiazin-4-yl)butanoyl]nipecotic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CCCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C20H26N2O4S/c1-2-26-20(25)15-7-5-11-21(13-15)18(23)10-6-12-22-16-8-3-4-9-17(16)27-14-19(22)24/h3-4,8-9,15H,2,5-7,10-14H2,1H3/t15-/m0/s1