(3S)-1-ethyl-3-methyl-7-oxidanyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-1-ethyl-3-methyl-7-oxidanyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one Openeye Name: (3S)-1-ethyl-7-hydroxy-3-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-2-one CAS Name: (3S)-1-ethyl-7-hydroxy-3-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one IUPAC Name: (3S)-1-ethyl-7-hydroxy-3-methyl-5-thiophen-2-yl-3H-1,4-benzodiazepin-2-one Traditional Name: (3S)-1-ethyl-7-hydroxy-3-methyl-5-(2-thienyl)-3H-1,4-benzodiazepin-2-one Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)O)C(=NC(C1=O)C)C3=CC=CS3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)O)C(=N[C@H](C1=O)C)C3=CC=CS3

InChI

InChI=1S/C16H16N2O2S/c1-3-18-13-7-6-11(19)9-12(13)15(14-5-4-8-21-14)17-10(2)16(18)20/h4-10,19H,3H2,1-2H3/t10-/m0/s1