2-diethylaminoethyl 4-[[2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoate CAS Name: 4-[[2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-cyanoethenyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]benzoate Traditional Name: 4-[[2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-2-cyano-vinyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C28H25BrN4O4S MolecularWeight: 593.4915

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C28H25BrN4O4S/c1-3-33(4-2)11-12-36-27(34)18-5-8-22(9-6-18)31-16-20(15-30)26-32-24(17-38-26)23-14-19-13-21(29)7-10-25(19)37-28(23)35/h5-10,13-14,16-17,31H,3-4,11-12H2,1-2H3