ethyl 3-prop-2-enyl-2-sulfanylidene-4-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3-prop-2-enyl-2-sulfanylidene-4-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3-allyl-2-thioxo-4-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]thiazole-5-carboxylate CAS Name: 4-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-3-prop-2-enyl-2-sulfanylidene-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-prop-2-enyl-2-sulfanylidene-4-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]-1,3-thiazole-5-carboxylate Traditional Name: 3-allyl-2-thioxo-4-[(9,10,10-triketothioxanthene-3-carbonyl)amino]-4-thiazoline-5-carboxylic acid ethyl ester Formula: C23H18N2O6S3 MolecularWeight: 514.59382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)S1)CC=C)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)S1)CC=C)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C23H18N2O6S3/c1-3-11-25-20(19(33-23(25)32)22(28)31-4-2)24-21(27)13-9-10-15-17(12-13)34(29,30)16-8-6-5-7-14(16)18(15)26/h3,5-10,12H,1,4,11H2,2H3,(H,24,27)