methyl (2S)-2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate

Systemtic Name: methyl (2S)-2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-2-[3-(carbamothioylamino)phenyl]acetate CAS Name: (2S)-2-[3-(carbamothioylamino)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(carbamothioylamino)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-2-(3-thioureidophenyl)acetic acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=CC=C1)NC(=S)N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC(=CC=C1)NC(=S)N)C(=O)OC

InChI

InChI=1S/C15H21N3O4S/c1-15(2,3)22-14(20)18-11(12(19)21-4)9-6-5-7-10(8-9)17-13(16)23/h5-8,11H,1-4H3,(H,18,20)(H3,16,17,23)/t11-/m0/s1