bis(carboxymethyl)-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-phenylmethoxycarbonyl-azanium

Systemtic Name: bis(carboxymethyl)-(2-oxidanylidene-2-thiophen-2-yl-ethyl)-phenylmethoxycarbonyl-azanium Openeye Name: benzyloxycarbonyl-bis(carboxymethyl)-[2-oxo-2-(2-thienyl)ethyl]ammonium CAS Name: bis(carboxymethyl)-(2-oxo-2-thiophen-2-ylethyl)-phenylmethoxycarbonylammonium IUPAC Name: bis(carboxymethyl)-(2-oxo-2-thiophen-2-ylethyl)-phenylmethoxycarbonylazanium Traditional Name: carbobenzoxy-bis(carboxymethyl)-[2-keto-2-(2-thienyl)ethyl]ammonium Formula: C18H18NO7S+ MolecularWeight: 392.40302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+](CC(=O)C2=CC=CS2)(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+](CC(=O)C2=CC=CS2)(CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H17NO7S/c20-14(15-7-4-8-27-15)9-19(10-16(21)22,11-17(23)24)18(25)26-12-13-5-2-1-3-6-13/h1-8H,9-12H2,(H-,21,22,23,24)/p+1