(E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: (E)-4-[[3-[(1S)-2-oxidanidyl-2-oxidanylidene-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-but-2-enoate Openeye Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-6-yl]amino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-(4-thiomorpholin-4-iumyl)ethyl]-1H-indol-6-yl]amino]-4-oxo-2-butenoate IUPAC Name: (E)-4-[[3-[(1S)-2-oxido-2-oxo-1-thiomorpholin-4-ium-4-ylethyl]-1H-indol-6-yl]amino]-4-oxobut-2-enoate Traditional Name: (E)-4-keto-4-[[3-[(1S)-2-keto-2-oxido-1-thiomorpholin-4-ium-4-yl-ethyl]-1H-indol-6-yl]amino]but-2-enoate Formula: C18H18N3O5S- MolecularWeight: 388.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CNC3=C2C=CC(=C3)NC(=O)C=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1[C@@H](C2=CNC3=C2C=CC(=C3)NC(=O)/C=C/C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c22-15(3-4-16(23)24)20-11-1-2-12-13(10-19-14(12)9-11)17(18(25)26)21-5-7-27-8-6-21/h1-4,9-10,17,19H,5-8H2,(H,20,22)(H,23,24)(H,25,26)/p-1/b4-3+/t17-/m0/s1