2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 3,4-diethoxybenzoate

Systemtic Name: 2-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]ethyl 3,4-diethoxybenzoate Openeye Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic acid 2-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]ethyl ester IUPAC Name: 2-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]ethyl 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid 2-[(9,10,10-triketothioxanthene-3-carbonyl)amino]ethyl ester Formula: C27H25NO8S MolecularWeight: 523.5543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OCC

InChI

InChI=1S/C27H25NO8S/c1-3-34-21-12-10-18(15-22(21)35-4-2)27(31)36-14-13-28-26(30)17-9-11-20-24(16-17)37(32,33)23-8-6-5-7-19(23)25(20)29/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,30)