2-azanyl-3-[4-(1-ethanoyl-2-methoxycarbonyl-4-sulfanylidene-pyrrolidin-2-yl)-3-nitro-phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(1-ethanoyl-2-methoxycarbonyl-4-sulfanylidene-pyrrolidin-2-yl)-3-nitro-phenyl]propanoic acid Openeye Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-thioxo-pyrrolidin-2-yl)-3-nitro-phenyl]-2-amino-propanoic acid CAS Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-sulfanylidene-2-pyrrolidinyl)-3-nitrophenyl]-2-aminopropanoic acid IUPAC Name: 3-[4-(1-acetyl-2-methoxycarbonyl-4-sulfanylidenepyrrolidin-2-yl)-3-nitrophenyl]-2-aminopropanoic acid Traditional Name: 3-[4-(1-acetyl-2-carbomethoxy-4-thioxo-pyrrolidin-2-yl)-3-nitro-phenyl]-2-amino-propionic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(=S)CC1(C2=C(C=C(C=C2)CC(C(=O)O)N)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)N1CC(=S)CC1(C2=C(C=C(C=C2)CC(C(=O)O)N)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H19N3O7S/c1-9(21)19-8-11(28)7-17(19,16(24)27-2)12-4-3-10(5-13(18)15(22)23)6-14(12)20(25)26/h3-4,6,13H,5,7-8,18H2,1-2H3,(H,22,23)