[(2R)-5-azanylidene-3-methyl-2-[(3-nitrophenyl)carbamoyl]-2H-thiophen-4-yl] propanoate

Systemtic Name: [(2R)-5-azanylidene-3-methyl-2-[(3-nitrophenyl)carbamoyl]-2H-thiophen-4-yl] propanoate Openeye Name: [(2R)-5-imino-3-methyl-2-[(3-nitrophenyl)carbamoyl]-2H-thiophen-4-yl] propanoate CAS Name: propanoic acid [(2R)-5-imino-3-methyl-2-[(3-nitroanilino)-oxomethyl]-2H-thiophen-4-yl] ester IUPAC Name: [(2R)-5-imino-3-methyl-2-[(3-nitrophenyl)carbamoyl]-2H-thiophen-4-yl] propanoate Traditional Name: propionic acid [(2R)-5-imino-3-methyl-2-[(3-nitrophenyl)carbamoyl]-2H-thiophen-4-yl] ester Formula: C15H15N3O5S MolecularWeight: 349.3617

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(SC1=N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(=O)OC1=C([C@@H](SC1=N)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O5S/c1-3-11(19)23-12-8(2)13(24-14(12)16)15(20)17-9-5-4-6-10(7-9)18(21)22/h4-7,13,16H,3H2,1-2H3,(H,17,20)/t13-/m1/s1