2-dimethylaminoethyl 4-[butyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[butyl-(1-oxidanylideneisothiochromen-3-yl)carbonyl-amino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[butyl-(1-oxoisothiochromene-3-carbonyl)amino]benzoate CAS Name: 4-[butyl-[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[butyl-(1-oxoisothiochromene-3-carbonyl)amino]benzoate Traditional Name: 4-[butyl-(1-ketoisothiochromene-3-carbonyl)amino]benzoic acid 2-dimethylaminoethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C2=CC3=CC=CC=C3C(=O)S2

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C2=CC3=CC=CC=C3C(=O)S2

InChI

InChI=1S/C25H28N2O4S/c1-4-5-14-27(20-12-10-18(11-13-20)24(29)31-16-15-26(2)3)23(28)22-17-19-8-6-7-9-21(19)25(30)32-22/h6-13,17H,4-5,14-16H2,1-3H3