(2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide

Systemtic Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Openeye Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(3-pyridylmethyl)propanamide CAS Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-(3-pyridinylmethyl)propanamide IUPAC Name: (2S)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide Traditional Name: (2S)-2-acetamido-3-[(3-nitrophenyl)thio]-N-(3-pyridylmethyl)propionamide Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CN=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CN=CC=C2

InChI

InChI=1S/C17H18N4O4S/c1-12(22)20-16(17(23)19-10-13-4-3-7-18-9-13)11-26-15-6-2-5-14(8-15)21(24)25/h2-9,16H,10-11H2,1H3,(H,19,23)(H,20,22)/t16-/m1/s1