O1-ethyl O4-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester IUPAC Name: 1-O-ethyl 4-O-[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)OCC(=O)N1C(CSC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(=O)OCC(=O)N1[C@H](CSC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-2-27-21(25)12-13-22(26)28-14-20(24)23-17-10-6-7-11-19(17)29-15-18(23)16-8-4-3-5-9-16/h3-13,18H,2,14-15H2,1H3/b13-12+/t18-/m1/s1