[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H20N2O4S2/c1-10-11-5-3-4-6-14(11)25-15(10)13(20)9-23-16(21)12(7-8-24-2)19-17(18)22/h3-6,12H,7-9H2,1-2H3,(H3,18,19,22)/t12-/m0/s1