ethyl (2S)-2-azanyl-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate

Systemtic Name: ethyl (2S)-2-azanyl-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate Openeye Name: ethyl (2S)-2-amino-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate CAS Name: (2S)-2-amino-3-[2-[(2-nitrophenyl)thio]-1H-indol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-amino-3-[2-(2-nitrophenyl)sulfanyl-1H-indol-3-yl]propanoate Traditional Name: (2S)-2-amino-3-[2-[(2-nitrophenyl)thio]-1H-indol-3-yl]propionic acid ethyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)[C@H](CC1=C(NC2=CC=CC=C21)SC3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C19H19N3O4S/c1-2-26-19(23)14(20)11-13-12-7-3-4-8-15(12)21-18(13)27-17-10-6-5-9-16(17)22(24)25/h3-10,14,21H,2,11,20H2,1H3/t14-/m0/s1