2-[2-[[2-[azanyl(phenyl)methoxy]-2-oxidanylidene-ethyl]-(1-isothiocyanato-2-oxidanylidene-ethyl)amino]ethyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[2-[[2-[azanyl(phenyl)methoxy]-2-oxidanylidene-ethyl]-(1-isothiocyanato-2-oxidanylidene-ethyl)amino]ethyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[2-[[2-[amino(phenyl)methoxy]-2-oxo-ethyl]-(1-isothiocyanato-2-oxo-ethyl)amino]ethyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[2-[[2-[amino(phenyl)methoxy]-2-oxoethyl]-(1-isothiocyanato-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[2-[[2-[amino(phenyl)methoxy]-2-oxoethyl]-(1-isothiocyanato-2-oxoethyl)amino]ethyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[2-[[2-[amino(phenyl)methoxy]-2-keto-ethyl]-(1-isothiocyanato-2-keto-ethyl)amino]ethyl-(carboxymethyl)amino]acetic acid Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(N)OC(=O)CN(CCN(CC(=O)O)CC(=O)O)C(C=O)N=C=S

Isomeric SMILES

C1=CC=C(C=C1)C(N)OC(=O)CN(CCN(CC(=O)O)CC(=O)O)C(C=O)N=C=S

InChI

InChI=1S/C18H22N4O7S/c19-18(13-4-2-1-3-5-13)29-17(28)10-22(14(11-23)20-12-30)7-6-21(8-15(24)25)9-16(26)27/h1-5,11,14,18H,6-10,19H2,(H,24,25)(H,26,27)