methyl 2-bromanyl-3-[(3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-yl)amino]benzoate

Systemtic Name: methyl 2-bromanyl-3-[(3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-yl)amino]benzoate Openeye Name: methyl 2-bromo-3-[[3-oxo-5-(2-thienyl)cyclohexen-1-yl]amino]benzoate CAS Name: 2-bromo-3-[(3-oxo-5-thiophen-2-yl-1-cyclohexenyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-bromo-3-[(3-oxo-5-thiophen-2-ylcyclohexen-1-yl)amino]benzoate Traditional Name: 2-bromo-3-[[3-keto-5-(2-thienyl)cyclohexen-1-yl]amino]benzoic acid methyl ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=CS3)Br

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC2=CC(=O)CC(C2)C3=CC=CS3)Br

InChI

InChI=1S/C18H16BrNO3S/c1-23-18(22)14-4-2-5-15(17(14)19)20-12-8-11(9-13(21)10-12)16-6-3-7-24-16/h2-7,10-11,20H,8-9H2,1H3