ethyl 2-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[(4S)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(4S)-2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]ethyl]thio]acetic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)N1C(CC(=O)NC2=CC=CC=C21)C

Isomeric SMILES

CCOC(=O)CSCC(=O)N1[C@H](CC(=O)NC2=CC=CC=C21)C

InChI

InChI=1S/C16H20N2O4S/c1-3-22-16(21)10-23-9-15(20)18-11(2)8-14(19)17-12-6-4-5-7-13(12)18/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)/t11-/m0/s1