5-[5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid

Systemtic Name: 5-[5-(isothiocyanatomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid Openeye Name: 5-[5-(isothiocyanatomethyl)-2-oxo-oxazolidin-3-yl]indoline-1-carboxylic acid CAS Name: 5-[5-(isothiocyanatomethyl)-2-oxo-3-oxazolidinyl]-2,3-dihydroindole-1-carboxylic acid IUPAC Name: 5-[5-(isothiocyanatomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2,3-dihydroindole-1-carboxylic acid Traditional Name: 5-[5-(isothiocyanatomethyl)-2-keto-oxazolidin-3-yl]indoline-1-carboxylic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)N3CC(OC3=O)CN=C=S)C(=O)O

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)N3CC(OC3=O)CN=C=S)C(=O)O

InChI

InChI=1S/C14H13N3O4S/c18-13(19)16-4-3-9-5-10(1-2-12(9)16)17-7-11(6-15-8-22)21-14(17)20/h1-2,5,11H,3-4,6-7H2,(H,18,19)