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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CSCCC(=O)OC

Isomeric SMILES

C[C@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSCCC(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-11-9-14(19)17-12-5-3-4-6-13(12)18(11)15(20)10-23-8-7-16(21)22-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)/t11-/m0/s1