methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-(prop-2-enylamino)thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-(prop-2-enylamino)thioxanthene-3-carboximidate Openeye Name: methyl 7-(allylamino)-N-(2-aminoethyl)-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-7-(prop-2-enylamino)-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-(prop-2-enylamino)thioxanthene-3-carboximidate Traditional Name: 7-(allylamino)-N-(2-aminoethyl)-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)NCC=C

Isomeric SMILES

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)NCC=C

InChI

InChI=1S/C20H21N3O4S/c1-3-9-22-14-5-7-17-16(12-14)19(24)15-6-4-13(11-18(15)28(17,25)26)20(27-2)23-10-8-21/h3-7,11-12,22H,1,8-10,21H2,2H3