[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propanoate CAS Name: 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(5-methyl-2-thiophen-2-yl-1H-indol-3-yl)propanoate Traditional Name: 3-[5-methyl-2-(2-thienyl)-1H-indol-3-yl]propionic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2CCC(=O)OC(C)C(=O)NC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2CCC(=O)O[C@@H](C)C(=O)NC(=O)N)C3=CC=CS3

InChI

InChI=1S/C20H21N3O4S/c1-11-5-7-15-14(10-11)13(18(22-15)16-4-3-9-28-16)6-8-17(24)27-12(2)19(25)23-20(21)26/h3-5,7,9-10,12,22H,6,8H2,1-2H3,(H3,21,23,25,26)/t12-/m0/s1