methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-phenyl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(3-nitro-4-pyrrolidin-1-yl-benzoyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[3-nitro-4-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(3-nitro-4-pyrrolidino-benzoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-27-18(23)12-14(17-5-4-10-28-17)20-19(24)13-6-7-15(16(11-13)22(25)26)21-8-2-3-9-21/h4-7,10-11,14H,2-3,8-9,12H2,1H3,(H,20,24)