sodium 3-[[(2E)-2-(3-morpholin-4-ylpropoxyimino)ethanoyl]-thiophen-2-yl-amino]-2-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: sodium 3-[[(2E)-2-(3-morpholin-4-ylpropoxyimino)ethanoyl]-thiophen-2-yl-amino]-2-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[(2E)-2-(3-morpholinopropoxyimino)acetyl]-(2-thienyl)amino]-2-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2E)-2-[3-(4-morpholinyl)propoxyimino]-1-oxoethyl]-thiophen-2-ylamino]-2-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2E)-2-(3-morpholin-4-ylpropoxyimino)acetyl]-thiophen-2-ylamino]-2-oxoazetidine-1-sulfonate Traditional Name: sodium 2-keto-3-[[(2E)-2-(3-morpholinopropyloximino)acetyl]-(2-thienyl)amino]azetidine-1-sulfonate Formula: C16H21N4NaO7S2 MolecularWeight: 468.48031

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCON=CC(=O)N(C2CN(C2=O)S(=O)(=O)[O-])C3=CC=CS3.[Na+]

Isomeric SMILES

C1COCCN1CCCO/N=C/C(=O)N(C2CN(C2=O)S(=O)(=O)[O-])C3=CC=CS3.[Na+]

InChI

InChI=1S/C16H22N4O7S2.Na/c21-14(11-17-27-7-2-4-18-5-8-26-9-6-18)20(15-3-1-10-28-15)13-12-19(16(13)22)29(23,24)25;/h1,3,10-11,13H,2,4-9,12H2,(H,23,24,25);/q;+1/p-1/b17-11+;