[(Z)-1-[(3S)-3-sulfanylpyrrolidin-1-yl]ethylideneamino]methyl 4-nitrobenzoate

Systemtic Name: [(Z)-1-[(3S)-3-sulfanylpyrrolidin-1-yl]ethylideneamino]methyl 4-nitrobenzoate Openeye Name: [(Z)-1-[(3S)-3-sulfanylpyrrolidin-1-yl]ethylideneamino]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(Z)-1-[(3S)-3-mercapto-1-pyrrolidinyl]ethylideneamino]methyl ester IUPAC Name: [(Z)-1-[(3S)-3-sulfanylpyrrolidin-1-yl]ethylideneamino]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(Z)-1-[(3S)-3-mercaptopyrrolidino]ethylideneamino]methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2CCC(C2)S

Isomeric SMILES

C/C(=N/COC(=O)C1=CC=C(C=C1)[N+](=O)[O-])/N2CC[C@@H](C2)S

InChI

InChI=1S/C14H17N3O4S/c1-10(16-7-6-13(22)8-16)15-9-21-14(18)11-2-4-12(5-3-11)17(19)20/h2-5,13,22H,6-9H2,1H3/b15-10-/t13-/m0/s1