2-diethylaminoethyl 4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[(1-ketoisothiochromene-3-carbonyl)amino]benzoic acid 2-diethylaminoethyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C23H24N2O4S/c1-3-25(4-2)13-14-29-22(27)16-9-11-18(12-10-16)24-21(26)20-15-17-7-5-6-8-19(17)23(28)30-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,24,26)