N-[4-[(Z)-2-chloranyl-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]phenyl]ethanamide

Systemtic Name: N-[4-[(Z)-2-chloranyl-2-[(7S)-7-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]phenyl]ethanamide Openeye Name: N-[4-[(Z)-2-chloro-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]phenyl]acetamide CAS Name: N-[4-[(Z)-2-chloro-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]phenyl]acetamide IUPAC Name: N-[4-[(Z)-2-chloro-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]ethenyl]phenyl]acetamide Traditional Name: N-[4-[(Z)-2-chloro-2-[(7S)-4-keto-7-methyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl]vinyl]phenyl]acetamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C(=CC4=CC=C(C=C4)NC(=O)C)Cl

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)/C(=C/C4=CC=C(C=C4)NC(=O)C)/Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-11-3-8-15-17(9-11)28-21-18(15)20(27)24-19(25-21)16(22)10-13-4-6-14(7-5-13)23-12(2)26/h4-7,10-11H,3,8-9H2,1-2H3,(H,23,26)(H,24,25,27)/b16-10-/t11-/m0/s1