[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C18H23N3O4S/c1-3-11-5-4-6-12-13(9-20-16(11)12)15(22)10-25-17(23)14(7-8-26-2)21-18(19)24/h4-6,9,14,20H,3,7-8,10H2,1-2H3,(H3,19,21,24)/t14-/m0/s1