2-azanylethyl 9-oxidanylidenethioxanthene-1-carboxylate

Systemtic Name: 2-azanylethyl 9-oxidanylidenethioxanthene-1-carboxylate Openeye Name: 2-aminoethyl 9-oxothioxanthene-1-carboxylate CAS Name: 9-oxo-1-thioxanthenecarboxylic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl 9-oxothioxanthene-1-carboxylate Traditional Name: 9-ketothioxanthene-1-carboxylic acid 2-aminoethyl ester Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3S2)C(=O)OCCN

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC=C3S2)C(=O)OCCN

InChI

InChI=1S/C16H13NO3S/c17-8-9-20-16(19)11-5-3-7-13-14(11)15(18)10-4-1-2-6-12(10)21-13/h1-7H,8-9,17H2